Mercurial > repos > agpetit > calculate_diameter
diff test-data/calculate_pore_diameter_aqp.log @ 0:e227d80e53be draft
"planemo upload for repository https://github.com/mesocentre-clermont-auvergne/aubi_piaf commit 48a10de1b21f94ab8019d9d0e4a43e0bd9d0c31e-dirty"
| author | agpetit |
|---|---|
| date | Wed, 25 May 2022 07:17:24 +0000 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/calculate_pore_diameter_aqp.log Wed May 25 07:17:24 2022 +0000 @@ -0,0 +1,9147 @@ +INFO - verbose mode on +INFO - Load universe : <Universe with 311580 atoms> +INFO - +Function runForAllFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is None +INFO - The fourth input parameter is None +INFO - The fifth input parameter is <Universe with 311580 atoms> +INFO - +Function runForAllFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is 9 +INFO - The fourth input parameter is <Universe with 311580 atoms> +INFO - The number of frame is 11 +INFO - The dimensions of the table of means and standard deviation are as follows (11, 9) +INFO - Frame 0 +INFO - < Timestep 0 with unit cell dimensions [115.80051 115.80051 225.22 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([63.65, 70.4 , 63.83], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR2,AQP1,P1': array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR1,AQP1,P2': array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR1,AQP1,P3': array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR2,AQP1,P3': array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR1,AQP1,P4': array([63.65, 70.4 , 63.83], dtype=float32), 'ArR2,AQP1,P4': array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR1,AQP2,P1': array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR2,AQP2,P1': array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([71.590004, 52.08 , 64.29 ], dtype=float32), 'ArR2,AQP1,P1': array([82.090004, 60.330006, 61.75 ], dtype=float32), 'ArR1,AQP1,P2': array([45.49 , 62.140003, 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([35.210003, 54.210007, 61.83 ], dtype=float32), 'ArR1,AQP1,P3': array([53.54 , 44.090004, 63.880005], dtype=float32), 'ArR2,AQP1,P3': array([61.63 , 34.39 , 61.450005], dtype=float32), 'ArR1,AQP1,P4': array([63.65, 70.4 , 63.83], dtype=float32), 'ArR2,AQP1,P4': array([55.39 , 81.36001 , 61.270004], dtype=float32), 'ArR1,AQP2,P1': array([ 70.76, 53.93, 177.07], dtype=float32), 'ArR2,AQP2,P1': array([ 80.729996, 62.730003, 174.47 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.47 , 63.370003, 176.26001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 55.300003, 174.39001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.070004, 175.95001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.170002, 35.29 , 174.96 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.340004, 72.01 , 176.75002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.690002, 82.07001 , 174.12001 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [71.590004 52.08 64.29 ] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.090004 60.330006 61.75 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.592798 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [45.49 62.140003 63.670002] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [35.210003 54.210007 61.83 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.112926 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [53.54 44.090004 63.880005] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [61.63 34.39 61.450005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.862469 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [63.65 70.4 63.83] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [55.39 81.36001 61.270004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.960765 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.76 53.93 177.07] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.729996 62.730003 174.47 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.549939 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.47 63.370003 176.26001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34. 55.300003 174.39001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.350757 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.700005 45.070004 175.95001 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.170002 35.29 174.96 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 12.975724 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.340004 72.01 176.75002 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.690002 82.07001 174.12001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.525648 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.592798, 'ArR1-ArR2,AQP1,P2': 13.112926, 'ArR1-ArR2,AQP1,P3': 12.862469, 'ArR1-ArR2,AQP1,P4': 13.960765, 'ArR1-ArR2,AQP2,P1': 13.549939, 'ArR1-ArR2,AQP2,P2': 13.350757, 'ArR1-ArR2,AQP2,P3': 12.975724, 'ArR1-ArR2,AQP2,P4': 13.525648} +INFO - Frame 1 +INFO - < Timestep 1 with unit cell dimensions [115.76665 115.76665 225.26328 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([53.97, 44.87, 63.72], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.59, 82.08, 174.02], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR2,AQP1,P1': array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR1,AQP1,P2': array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR1,AQP1,P3': array([53.97, 44.87, 63.72], dtype=float32), 'ArR2,AQP1,P3': array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR1,AQP1,P4': array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR2,AQP1,P4': array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR1,AQP2,P1': array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.59, 82.08, 174.02], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([71.920006, 52.410004, 64.03001 ], dtype=float32), 'ArR2,AQP1,P1': array([82.61001 , 60.550003, 61.57 ], dtype=float32), 'ArR1,AQP1,P2': array([46.130005, 62.4 , 63.670002], dtype=float32), 'ArR2,AQP1,P2': array([36.230003, 54.560005, 62.420002], dtype=float32), 'ArR1,AQP1,P3': array([53.97, 44.87, 63.72], dtype=float32), 'ArR2,AQP1,P3': array([61.760002, 34.600002, 61.550003], dtype=float32), 'ArR1,AQP1,P4': array([64.2 , 70.350006, 63.920002], dtype=float32), 'ArR2,AQP1,P4': array([56.230003, 81.32 , 61.280003], dtype=float32), 'ArR1,AQP2,P1': array([ 71.020004, 54.230003, 177.18001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.11 , 62.100006, 174.58 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 63.560005, 176.62001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.480003, 55.100002, 174.29001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.390003, 45.210003, 176.65001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.920006, 35.530003, 175.12001 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.68 , 71.71001, 176.72 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.59, 82.08, 174.02], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [71.920006 52.410004 64.03001 ] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.61001 60.550003 61.57 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.6596985 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.130005 62.4 63.670002] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.230003 54.560005 62.420002] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.690078 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [53.97 44.87 63.72] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [61.760002 34.600002 61.550003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.071566 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.2 70.350006 63.920002] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.230003 81.32 61.280003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.814165 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 71.020004 54.230003 177.18001 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 81.11 62.100006 174.58 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.057756 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.620003 63.560005 176.62001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.480003 55.100002 174.29001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.409703 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.390003 45.210003 176.65001 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.920006 35.530003 175.12001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 12.992469 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.68 71.71001 176.72 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.59 82.08 174.02] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.426648 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.6596985, 'ArR1-ArR2,AQP1,P2': 12.690078, 'ArR1-ArR2,AQP1,P3': 13.071566, 'ArR1-ArR2,AQP1,P4': 13.814165, 'ArR1-ArR2,AQP2,P1': 13.057756, 'ArR1-ArR2,AQP2,P2': 13.409703, 'ArR1-ArR2,AQP2,P3': 12.992469, 'ArR1-ArR2,AQP2,P4': 13.426648} +INFO - Frame 2 +INFO - < Timestep 2 with unit cell dimensions [115.84053 115.84053 224.66759 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.430004, 81.69 , 173.92 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR2,AQP1,P1': array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR1,AQP1,P2': array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR2,AQP1,P2': array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR1,AQP1,P3': array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR2,AQP1,P3': array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR1,AQP1,P4': array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR2,AQP1,P4': array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR1,AQP2,P1': array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR1,AQP2,P2': array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.430004, 81.69 , 173.92 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.28 , 52.840004, 64.66 ], dtype=float32), 'ArR2,AQP1,P1': array([82.45001, 61.4 , 61.61 ], dtype=float32), 'ArR1,AQP1,P2': array([46.25 , 62.900005, 64.33 ], dtype=float32), 'ArR2,AQP1,P2': array([36.13 , 54.950005, 62.710003], dtype=float32), 'ArR1,AQP1,P3': array([54.32 , 45.36 , 64.350006], dtype=float32), 'ArR2,AQP1,P3': array([62.800003, 34.22 , 62.000004], dtype=float32), 'ArR1,AQP1,P4': array([64.06 , 70.87 , 64.03001], dtype=float32), 'ArR2,AQP1,P4': array([56.160004, 81.71001 , 61.670002], dtype=float32), 'ArR1,AQP2,P1': array([ 71.060005, 53.08 , 176.64001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 81.04 , 62.22 , 174.87001], dtype=float32), 'ArR1,AQP2,P2': array([ 44.430004, 62.68 , 176.05002 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.46 , 55.090004, 174.11002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.700005, 45.2 , 175.89001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.300003, 35.280003, 174.21002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.72 , 71.630005, 176.31 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.430004, 81.69 , 173.92 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.28 52.840004 64.66 ] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.45001 61.4 61.61 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.638374 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.25 62.900005 64.33 ] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.13 54.950005 62.710003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.970786 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.32 45.36 64.350006] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.800003 34.22 62.000004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 14.196216 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.06 70.87 64.03001] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.160004 81.71001 61.670002] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.619296 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 71.060005 53.08 176.64001 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 81.04 62.22 174.87001] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.64818 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.430004 62.68 176.05002 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.46 55.090004 174.11002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.679616 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.700005 45.2 175.89001 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.300003 35.280003 174.21002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.235888 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.72 71.630005 176.31 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.430004 81.69 173.92 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.252913 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.638374, 'ArR1-ArR2,AQP1,P2': 12.970786, 'ArR1-ArR2,AQP1,P3': 14.196216, 'ArR1-ArR2,AQP1,P4': 13.619296, 'ArR1-ArR2,AQP2,P1': 13.64818, 'ArR1-ArR2,AQP2,P2': 12.679616, 'ArR1-ArR2,AQP2,P3': 13.235888, 'ArR1-ArR2,AQP2,P4': 13.252913} +INFO - Frame 3 +INFO - < Timestep 3 with unit cell dimensions [115.5951 115.5951 225.9352 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.8 , 71.42, 62.99], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.490005, 81.65 , 174.41 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR2,AQP1,P1': array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR1,AQP1,P2': array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR2,AQP1,P2': array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR1,AQP1,P3': array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR2,AQP1,P3': array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([64.8 , 71.42, 62.99], dtype=float32), 'ArR2,AQP1,P4': array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR2,AQP2,P1': array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR1,AQP2,P3': array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.490005, 81.65 , 174.41 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.55 , 53.320004, 63.120003], dtype=float32), 'ArR2,AQP1,P1': array([82.83 , 61.49 , 60.400005], dtype=float32), 'ArR1,AQP1,P2': array([46.390003, 63.110004, 63.530003], dtype=float32), 'ArR2,AQP1,P2': array([36.54 , 55.420002, 61.650005], dtype=float32), 'ArR1,AQP1,P3': array([54.810005, 45.070004, 63.2 ], dtype=float32), 'ArR2,AQP1,P3': array([62.47 , 34.870003, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([64.8 , 71.42, 62.99], dtype=float32), 'ArR2,AQP1,P4': array([56.580006, 82.32001 , 60.400005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.39001, 53.93 , 176.86002], dtype=float32), 'ArR2,AQP2,P1': array([ 80.520004, 62.250004, 174.88 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.65 , 63.590004, 176.73001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.24 , 55.25 , 174.56001], dtype=float32), 'ArR1,AQP2,P3': array([ 52.630005, 45.090004, 176.57 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.510006, 35.300003, 174.77002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.250004, 71.64001 , 176.71002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 54.490005, 81.65 , 174.41 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.55 53.320004 63.120003] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.83 61.49 60.400005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.409908 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.390003 63.110004 63.530003] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.54 55.420002 61.650005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.636972 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.810005 45.070004 63.2 ] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.47 34.870003 61.050003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.935921 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.8 71.42 62.99] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.580006 82.32001 60.400005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.895562 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.39001 53.93 176.86002] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.520004 62.250004 174.88 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.2574415 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.65 63.590004 176.73001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.24 55.25 174.56001] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.514165 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.630005 45.090004 176.57 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.510006 35.300003 174.77002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.339358 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.250004 71.64001 176.71002 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.490005 81.65 174.41 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 12.872748 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.409908, 'ArR1-ArR2,AQP1,P2': 12.636972, 'ArR1-ArR2,AQP1,P3': 12.935921, 'ArR1-ArR2,AQP1,P4': 13.895562, 'ArR1-ArR2,AQP2,P1': 13.2574415, 'ArR1-ArR2,AQP2,P2': 13.514165, 'ArR1-ArR2,AQP2,P3': 13.339358, 'ArR1-ArR2,AQP2,P4': 12.872748} +INFO - Frame 4 +INFO - < Timestep 4 with unit cell dimensions [115.63762 115.63762 225.58952 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.81, 52.61, 64.73], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.81, 52.61, 64.73], dtype=float32), 'ArR2,AQP1,P1': array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR1,AQP1,P2': array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR2,AQP1,P2': array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR1,AQP1,P3': array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR2,AQP1,P3': array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR1,AQP1,P4': array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR2,AQP1,P4': array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR1,AQP2,P3': array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR1,AQP2,P4': array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR2,AQP2,P4': array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.81, 52.61, 64.73], dtype=float32), 'ArR2,AQP1,P1': array([82.64 , 61.550003, 61.390003], dtype=float32), 'ArR1,AQP1,P2': array([46.940002, 62.910004, 64.86001 ], dtype=float32), 'ArR2,AQP1,P2': array([36.690002, 54.560005, 63.33 ], dtype=float32), 'ArR1,AQP1,P3': array([55.280003, 44.65 , 64.53 ], dtype=float32), 'ArR2,AQP1,P3': array([63.230003, 34.550003, 62.190002], dtype=float32), 'ArR1,AQP1,P4': array([64.340004, 71.23 , 64.44 ], dtype=float32), 'ArR2,AQP1,P4': array([56.370003, 81.950005, 61.75 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.73 , 53.490005, 177.70999 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.17 , 62.050003, 174.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.620003, 62.910004, 177.5 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.25, 54.6 , 175.55], dtype=float32), 'ArR1,AQP2,P3': array([ 52.620003, 44.960003, 177.49 ], dtype=float32), 'ArR2,AQP2,P3': array([ 61.4 , 34.83 , 175.26001], dtype=float32), 'ArR1,AQP2,P4': array([ 62.74 , 71.26 , 177.40002], dtype=float32), 'ArR2,AQP2,P4': array([ 54.210007, 81.43001 , 175.01001 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.81 52.61 64.73] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.64 61.550003 61.390003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.700664 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.940002 62.910004 64.86001 ] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.690002 54.560005 63.33 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.308865 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.280003 44.65 64.53 ] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.230003 34.550003 62.190002] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.064764 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.340004 71.23 64.44 ] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.370003 81.950005 61.75 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.626278 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.73 53.490005 177.70999 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.17 62.050003 174.84001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.062306 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.620003 62.910004 177.5 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.25 54.6 175.55] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.431144 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.620003 44.960003 177.49 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 61.4 34.83 175.26001] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.589635 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.74 71.26 177.40002] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 54.210007 81.43001 175.01001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.487104 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.700664, 'ArR1-ArR2,AQP1,P2': 13.308865, 'ArR1-ArR2,AQP1,P3': 13.064764, 'ArR1-ArR2,AQP1,P4': 13.626278, 'ArR1-ArR2,AQP2,P1': 13.062306, 'ArR1-ArR2,AQP2,P2': 13.431144, 'ArR1-ArR2,AQP2,P3': 13.589635, 'ArR1-ArR2,AQP2,P4': 13.487104} +INFO - Frame 5 +INFO - < Timestep 5 with unit cell dimensions [115.78047 115.78047 225.0325 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([72.58, 52.36, 63.72], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([56.96, 80.72, 60.56], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.65 , 81.21001, 173.83002], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([72.58, 52.36, 63.72], dtype=float32), 'ArR2,AQP1,P1': array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR1,AQP1,P2': array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR2,AQP1,P2': array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR1,AQP1,P3': array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR2,AQP1,P3': array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR1,AQP1,P4': array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR2,AQP1,P4': array([56.96, 80.72, 60.56], dtype=float32), 'ArR1,AQP2,P1': array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.65 , 81.21001, 173.83002], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([72.58, 52.36, 63.72], dtype=float32), 'ArR2,AQP1,P1': array([82.990005, 60.83 , 60.790005], dtype=float32), 'ArR1,AQP1,P2': array([47.070004, 62.100006, 64.310005], dtype=float32), 'ArR2,AQP1,P2': array([36.940002, 54.120003, 62.520004], dtype=float32), 'ArR1,AQP1,P3': array([54.83 , 44.420006, 63.79 ], dtype=float32), 'ArR2,AQP1,P3': array([62.81 , 34.440002, 61.180004], dtype=float32), 'ArR1,AQP1,P4': array([65.03 , 70.82 , 63.220005], dtype=float32), 'ArR2,AQP1,P4': array([56.96, 80.72, 60.56], dtype=float32), 'ArR1,AQP2,P1': array([ 69.92 , 52.840004, 176.54001 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.86001 , 60.990005, 174.44 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.920002, 62.070004, 176.06001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.620003, 54.550003, 173.52002 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.060005, 44.160004, 175.45 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.850006, 34.54 , 173.74 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.190002, 70.78001 , 176.7 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.65 , 81.21001, 173.83002], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [72.58 52.36 63.72] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [82.990005 60.83 60.790005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.736593 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.070004 62.100006 64.310005] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.940002 54.120003 62.520004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.019274 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.83 44.420006 63.79 ] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.81 34.440002 61.180004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.041968 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.03 70.82 63.220005] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [56.96 80.72 60.56] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.046476 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 69.92 52.840004 176.54001 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.86001 60.990005 174.44 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.024452 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.920002 62.070004 176.06001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.620003 54.550003 173.52002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.003536 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.060005 44.160004 175.45 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.850006 34.54 173.74 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.142778 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.190002 70.78001 176.7 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.65 81.21001 173.83002] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.782355 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.736593, 'ArR1-ArR2,AQP1,P2': 13.019274, 'ArR1-ArR2,AQP1,P3': 13.041968, 'ArR1-ArR2,AQP1,P4': 13.046476, 'ArR1-ArR2,AQP2,P1': 13.024452, 'ArR1-ArR2,AQP2,P2': 13.003536, 'ArR1-ArR2,AQP2,P3': 13.142778, 'ArR1-ArR2,AQP2,P4': 13.782355} +INFO - Frame 6 +INFO - < Timestep 6 with unit cell dimensions [115.77599 115.77599 225.05975 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR2,AQP1,P1': array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR1,AQP1,P2': array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR2,AQP1,P2': array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR1,AQP1,P3': array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR2,AQP1,P3': array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR1,AQP1,P4': array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR2,AQP1,P4': array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR1,AQP2,P1': array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.01 , 52.500004, 63.520004], dtype=float32), 'ArR2,AQP1,P1': array([83.41 , 60.670006, 60.270004], dtype=float32), 'ArR1,AQP1,P2': array([47.17 , 62.81 , 64.170006], dtype=float32), 'ArR2,AQP1,P2': array([36.93 , 54.980003, 62.350002], dtype=float32), 'ArR1,AQP1,P3': array([55.460007, 44.86 , 63.870003], dtype=float32), 'ArR2,AQP1,P3': array([62.88 , 34.670002, 61.580006], dtype=float32), 'ArR1,AQP1,P4': array([65.36 , 71.1 , 63.390003], dtype=float32), 'ArR2,AQP1,P4': array([57.500004, 81.48001 , 60.670006], dtype=float32), 'ArR1,AQP2,P1': array([ 70.19 , 53.520004, 176.39 ], dtype=float32), 'ArR2,AQP2,P1': array([ 79.450005, 60.980003, 174.10002 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.760002, 63.100006, 176.34001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.100002, 55.06 , 173.68 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.920006, 44.87 , 175.87 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.54 , 173.81 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.320004, 71.48 , 176.29001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.630005, 81.76001 , 173.51001 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.01 52.500004 63.520004] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.41 60.670006 60.270004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.618791 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.17 62.81 64.170006] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.93 54.980003 62.350002] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.018404 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.460007 44.86 63.870003] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [62.88 34.670002 61.580006] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.811576 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.36 71.1 63.390003] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.500004 81.48001 60.670006] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.301226 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.19 53.520004 176.39 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.450005 60.980003 174.10002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 12.109633 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.760002 63.100006 176.34001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.100002 55.06 173.68 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.846516 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 51.920006 44.87 175.87 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.930004 34.54 173.81 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.861188 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.320004 71.48 176.29001 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.630005 81.76001 173.51001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.744926 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.618791, 'ArR1-ArR2,AQP1,P2': 13.018404, 'ArR1-ArR2,AQP1,P3': 12.811576, 'ArR1-ArR2,AQP1,P4': 13.301226, 'ArR1-ArR2,AQP2,P1': 12.109633, 'ArR1-ArR2,AQP2,P2': 12.846516, 'ArR1-ArR2,AQP2,P3': 13.861188, 'ArR1-ArR2,AQP2,P4': 13.744926} +INFO - Frame 7 +INFO - < Timestep 7 with unit cell dimensions [115.571434 115.571434 225.80858 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.290005, 81.69 , 175.05002 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR2,AQP1,P1': array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR1,AQP1,P2': array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR2,AQP1,P2': array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR1,AQP1,P3': array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR2,AQP1,P3': array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR1,AQP1,P4': array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.290005, 81.69 , 175.05002 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.26 , 52.980003, 63.800003], dtype=float32), 'ArR2,AQP1,P1': array([83.600006, 61.390003, 60.800003], dtype=float32), 'ArR1,AQP1,P2': array([47.640003, 62.61 , 64.18 ], dtype=float32), 'ArR2,AQP1,P2': array([37.68 , 54.73 , 63.100006], dtype=float32), 'ArR1,AQP1,P3': array([55.18 , 44.940002, 64.12 ], dtype=float32), 'ArR2,AQP1,P3': array([63.820004, 34.690002, 62.08 ], dtype=float32), 'ArR1,AQP1,P4': array([65.18 , 71.3 , 63.460003], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.79001 , 60.880005], dtype=float32), 'ArR1,AQP2,P1': array([ 70.12 , 53.600002, 176.74002 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.490005, 61.760002, 174.34 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.800003, 63.14 , 176.76001 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.63 , 55.200005, 174.06 ], dtype=float32), 'ArR1,AQP2,P3': array([ 51.780006, 45.010002, 176.24 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.760002, 35.22 , 174.65 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.980003, 71.8 , 176.79001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.290005, 81.69 , 175.05002 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.26 52.980003 63.800003] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.600006 61.390003 60.800003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.661763 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.640003 62.61 64.18 ] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [37.68 54.73 63.100006] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.746077 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.18 44.940002 64.12 ] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.820004 34.690002 62.08 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.560006 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.18 71.3 63.460003] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.010002 81.79001 60.880005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.544205 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.12 53.600002 176.74002 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.490005 61.760002 174.34 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.412035 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.800003 63.14 176.76001 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.63 55.200005 174.06 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.181902 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 51.780006 45.010002 176.24 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.760002 35.22 174.65 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.379558 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 61.980003 71.8 176.79001 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.290005 81.69 175.05002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.2799 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.661763, 'ArR1-ArR2,AQP1,P2': 12.746077, 'ArR1-ArR2,AQP1,P3': 13.560006, 'ArR1-ArR2,AQP1,P4': 13.544205, 'ArR1-ArR2,AQP2,P1': 13.412035, 'ArR1-ArR2,AQP2,P2': 13.181902, 'ArR1-ArR2,AQP2,P3': 13.379558, 'ArR1-ArR2,AQP2,P4': 13.2799} +INFO - Frame 8 +INFO - < Timestep 8 with unit cell dimensions [115.68408 115.68408 225.56488 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([47.36, 62.93, 63.83], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.99, 54.72, 61.96], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.93, 81.47, 174.05], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR2,AQP1,P1': array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR1,AQP1,P2': array([47.36, 62.93, 63.83], dtype=float32), 'ArR2,AQP1,P2': array([36.99, 54.72, 61.96], dtype=float32), 'ArR1,AQP1,P3': array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR2,AQP1,P3': array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR1,AQP1,P4': array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR2,AQP1,P4': array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR1,AQP2,P1': array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR2,AQP2,P1': array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.93, 81.47, 174.05], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.15001 , 52.780003, 63.960003], dtype=float32), 'ArR2,AQP1,P1': array([83.740005, 61.260002, 60.740005], dtype=float32), 'ArR1,AQP1,P2': array([47.36, 62.93, 63.83], dtype=float32), 'ArR2,AQP1,P2': array([36.99, 54.72, 61.96], dtype=float32), 'ArR1,AQP1,P3': array([54.840004, 44.83 , 63.710003], dtype=float32), 'ArR2,AQP1,P3': array([63.020004, 35.190002, 61.510006], dtype=float32), 'ArR1,AQP1,P4': array([65.31 , 71.39001 , 63.170006], dtype=float32), 'ArR2,AQP1,P4': array([57.08 , 81.72 , 60.810005], dtype=float32), 'ArR1,AQP2,P1': array([ 69.94 , 53.58 , 176.64001], dtype=float32), 'ArR2,AQP2,P1': array([ 80.04001 , 62.170006, 173.84001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.08 , 63.190002, 176.42 ], dtype=float32), 'ArR2,AQP2,P2': array([ 33.800003, 55.000004, 174.18001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.210003, 44.86 , 176.17001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.71 , 34.760002, 174.25002 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.110004, 71.23 , 176.37001 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.93, 81.47, 174.05], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.15001 52.780003 63.960003] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.740005 61.260002 60.740005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.943701 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [47.36 62.93 63.83] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.99 54.72 61.96] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 13.358065 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [54.840004 44.83 63.710003] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.020004 35.190002 61.510006] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.832848 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.31 71.39001 63.170006] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.08 81.72 60.810005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.416825 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 69.94 53.58 176.64001] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.04001 62.170006 173.84001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.551321 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.08 63.190002 176.42 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 33.800003 55.000004 174.18001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.3331175 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.210003 44.86 176.17001 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.71 34.760002 174.25002 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.339651 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.110004 71.23 176.37001 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.93 81.47 174.05] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.309863 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.943701, 'ArR1-ArR2,AQP1,P2': 13.358065, 'ArR1-ArR2,AQP1,P3': 12.832848, 'ArR1-ArR2,AQP1,P4': 13.416825, 'ArR1-ArR2,AQP2,P1': 13.551321, 'ArR1-ArR2,AQP2,P2': 13.3331175, 'ArR1-ArR2,AQP2,P3': 13.339651, 'ArR1-ArR2,AQP2,P4': 13.309863} +INFO - Frame 9 +INFO - < Timestep 9 with unit cell dimensions [115.729866 115.729866 225.2261 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34. , 54.45, 173.66], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.750004, 81.850006, 173.68 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR2,AQP1,P1': array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR1,AQP1,P2': array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR2,AQP1,P2': array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR1,AQP1,P3': array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR2,AQP1,P3': array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR2,AQP1,P4': array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR2,AQP2,P1': array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 54.45, 173.66], dtype=float32), 'ArR1,AQP2,P3': array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR2,AQP2,P4': array([ 53.750004, 81.850006, 173.68 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.51 , 52.340004, 63.700005], dtype=float32), 'ArR2,AQP1,P1': array([83.520004, 60.58 , 61.200005], dtype=float32), 'ArR1,AQP1,P2': array([46.71 , 62.710003, 63.560005], dtype=float32), 'ArR2,AQP1,P2': array([37.010002, 54.680004, 62.230003], dtype=float32), 'ArR1,AQP1,P3': array([55.58 , 44.550003, 63.550003], dtype=float32), 'ArR2,AQP1,P3': array([63.560005, 33.750004, 61.050003], dtype=float32), 'ArR1,AQP1,P4': array([65.43 , 70.740005, 63.320004], dtype=float32), 'ArR2,AQP1,P4': array([57.190002, 81.090004, 60.91 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.23, 53.06, 176.21], dtype=float32), 'ArR2,AQP2,P1': array([ 79.850006, 61.660004, 174.13 ], dtype=float32), 'ArR1,AQP2,P2': array([ 44.13 , 62.99 , 176.08002], dtype=float32), 'ArR2,AQP2,P2': array([ 34. , 54.45, 173.66], dtype=float32), 'ArR1,AQP2,P3': array([ 52.070004, 45.100002, 175.84001 ], dtype=float32), 'ArR2,AQP2,P3': array([ 60.670006, 34.63 , 174.22 ], dtype=float32), 'ArR1,AQP2,P4': array([ 61.89, 71.47, 176.24], dtype=float32), 'ArR2,AQP2,P4': array([ 53.750004, 81.850006, 173.68 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.51 52.340004 63.700005] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.520004 60.58 61.200005] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.20408 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.71 62.710003 63.560005] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [37.010002 54.680004 62.230003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.662532 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.58 44.550003 63.550003] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.560005 33.750004 61.050003] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 13.659079 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [65.43 70.740005 63.320004] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.190002 81.090004 60.91 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.447236 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.23 53.06 176.21] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 79.850006 61.660004 174.13 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.07023 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 44.13 62.99 176.08002] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34. 54.45 173.66] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 13.468667 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.070004 45.100002 175.84001 ] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.670006 34.63 174.22 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.64571 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 61.89 71.47 176.24] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.750004 81.850006 173.68 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.437176 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.20408, 'ArR1-ArR2,AQP1,P2': 12.662532, 'ArR1-ArR2,AQP1,P3': 13.659079, 'ArR1-ArR2,AQP1,P4': 13.447236, 'ArR1-ArR2,AQP2,P1': 13.07023, 'ArR1-ArR2,AQP2,P2': 13.468667, 'ArR1-ArR2,AQP2,P3': 13.64571, 'ArR1-ArR2,AQP2,P4': 13.437176} +INFO - Frame 10 +INFO - < Timestep 10 with unit cell dimensions [115.69314 115.69314 225.31128 90. 90. 90. ] > +INFO - +Function runForOneFrame +INFO - The first input parameter is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The second input parameter is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The third input parameter is <Universe with 311580 atoms> +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname HSD or resname LEU or resname ALA or resname THR) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 + 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 + 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 + 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 + 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 + 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 + 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 + 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 + 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 + 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 + 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 + 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 + 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 + 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 53 55 56 + 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 109 114 117 + 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 180 181 187 + 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 240 251 252 + 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 39 41 45 + 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 91 97 101 + 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 159 161 162 + 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 211 215 217 + 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 269 270 22 + 24 30 32 38 39 41 45 46 47 48 50 53 55 56 60 66 72 73 + 76 78 86 90 91 97 101 103 106 107 108 109 114 117 123 126 128 134 + 137 146 150 154 159 161 162 165 170 173 176 180 181 187 191 195 196 198 + 203 208 209 210 211 215 217 222 227 228 236 240 251 252 253 254 255 256 + 258 262 264 266 269 270 22 24 30 32 38 39 41 45 46 47 48 50 + 53 55 56 60 66 72 73 76 78 86 90 91 97 101 103 106 107 108 + 109 114 117 123 126 128 134 137 146 150 154 159 161 162 165 170 173 176 + 180 181 187 191 195 196 198 203 208 209 210 211 215 217 222 227 228 236 + 240 251 252 253 254 255 256 258 262 264 266 269 270 22 24 30 32 38 + 39 41 45 46 47 48 50 53 55 56 60 66 72 73 76 78 86 90 + 91 97 101 103 106 107 108 109 114 117 123 126 128 134 137 146 150 154 + 159 161 162 165 170 173 176 180 181 187 191 195 196 198 203 208 209 210 + 211 215 217 222 227 228 236 240 251 252 253 254 255 256 258 262 264 266 + 269 270] +INFO - The list containing all the residue names associated with the pattern is : ['ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' + 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' + 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' + 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' + 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' + 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' + 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' + 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' + 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' + 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' + 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' + 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' + 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' + 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' + 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' + 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' + 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' + 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' + 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' + 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' + 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' + 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' + 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' + 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' + 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' + 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' + 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' + 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' + 'ALA' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' + 'LEU' 'ALA' 'ALA' 'LEU' 'THR' 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' + 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' + 'THR' 'ALA' 'ALA' 'THR' 'LEU' 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' + 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' + 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' + 'LEU' 'ALA' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'LEU' 'LEU' + 'LEU' 'THR' 'ALA' 'THR' 'HSD' 'ALA' 'LEU' 'LEU' 'ALA' 'ALA' 'LEU' 'THR' + 'ALA' 'HSD' 'ALA' 'THR' 'LEU' 'LEU' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'LEU' + 'ALA' 'LEU' 'ALA' 'LEU' 'ALA' 'ALA' 'THR' 'THR' 'ALA' 'ALA' 'THR' 'LEU' + 'THR' 'ALA' 'THR' 'ALA' 'HSD' 'LEU' 'ALA' 'LEU' 'ALA' 'HSD' 'LEU' 'ALA' + 'THR' 'THR' 'THR' 'ALA' 'ALA' 'ALA' 'ALA' 'HSD' 'ALA' 'LEU' 'ALA' 'ALA' + 'ALA' 'ALA' 'HSD' 'LEU' 'ALA' 'ALA' 'ALA' 'LEU'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, 270] +INFO - The length of the protomer 1 is 79 residues +INFO - The length of the protomer 2 is 79 residues +INFO - The length of the protomer 3 is 79 residues +INFO - The length of the protomer 4 is 79 residues +INFO - The length of the protomer 5 is 79 residues +INFO - The length of the protomer 6 is 79 residues +INFO - The length of the protomer 7 is 79 residues +INFO - The length of the protomer 8 is 79 residues +INFO - +Function create_config_file +INFO - The input list is [79, 79, 79, 79, 79, 79, 79, 79] +INFO - AQP1,P1 starts at index 0 and finish at index 78 +INFO - AQP1,P2 starts at index 78 and finish at index 157 +INFO - AQP1,P3 starts at index 157 and finish at index 236 +INFO - AQP1,P4 starts at index 236 and finish at index 315 +INFO - AQP2,P1 starts at index 315 and finish at index 394 +INFO - AQP2,P2 starts at index 394 and finish at index 473 +INFO - AQP2,P3 starts at index 473 and finish at index 552 +INFO - AQP2,P4 starts at index 552 and finish at index 631 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, 53, + 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, 101, + 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, 146, + 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, 191, + 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, 228, + 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, 269, + 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, 50, + 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, 97, + 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, 137, + 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, 187, + 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, 227, + 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, 266, + 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, 48, + 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, 91, + 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, 134, + 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, 181, + 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, 222, + 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, 264, + 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, 47, + 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, 90, + 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, 128, + 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, 180, + 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, 217, + 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, 262, + 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, 46, + 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, 86, + 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, 126, + 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, 176, + 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, 215, + 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, 258, + 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, 45, + 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, 78, + 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, 123, + 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, 173, + 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, 211, + 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, 256, + 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, 41, + 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, 76, + 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, 117, + 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, 170, + 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, 210, + 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, 255, + 256, 258, 262, 264, 266, 269, 270, 22, 24, 30, 32, 38, 39, + 41, 45, 46, 47, 48, 50, 53, 55, 56, 60, 66, 72, 73, + 76, 78, 86, 90, 91, 97, 101, 103, 106, 107, 108, 109, 114, + 117, 123, 126, 128, 134, 137, 146, 150, 154, 159, 161, 162, 165, + 170, 173, 176, 180, 181, 187, 191, 195, 196, 198, 203, 208, 209, + 210, 211, 215, 217, 222, 227, 228, 236, 240, 251, 252, 253, 254, + 255, 256, 258, 262, 264, 266, 269, 270]), array(['ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', + 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', + 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', + 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', + 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', + 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', + 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', + 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', + 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', + 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', + 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', + 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', + 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', + 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', + 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', + 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', + 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', + 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', + 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', + 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', + 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', + 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', + 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', + 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', + 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', + 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', + 'ALA', 'ALA', 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', + 'LEU', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', + 'LEU', 'THR', 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', + 'ALA', 'HSD', 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', + 'ALA', 'ALA', 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'LEU', 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', + 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'THR', 'ALA', 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', + 'LEU', 'THR', 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', + 'ALA', 'LEU', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', + 'ALA', 'THR', 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', + 'LEU', 'ALA', 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', + 'HSD', 'ALA', 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', + 'ALA', 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'LEU', 'LEU', 'ALA', + 'LEU', 'ALA', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'THR', 'ALA', + 'THR', 'HSD', 'ALA', 'LEU', 'LEU', 'ALA', 'ALA', 'LEU', 'THR', + 'ALA', 'HSD', 'ALA', 'THR', 'LEU', 'LEU', 'LEU', 'ALA', 'LEU', + 'ALA', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'LEU', 'ALA', 'ALA', + 'THR', 'THR', 'ALA', 'ALA', 'THR', 'LEU', 'THR', 'ALA', 'THR', + 'ALA', 'HSD', 'LEU', 'ALA', 'LEU', 'ALA', 'HSD', 'LEU', 'ALA', + 'THR', 'THR', 'THR', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'ALA', + 'LEU', 'ALA', 'ALA', 'ALA', 'ALA', 'HSD', 'LEU', 'ALA', 'ALA', + 'ALA', 'LEU'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['HSD', 'LEU', 'ALA', 'THR'] +INFO - The fourth input argument is ArR1 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('HSDLEUALATHR') is searched in ALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [56] +INFO - The final index list is [56] +INFO - The key of dictionary is AQP1,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P1 +INFO - The value associated at the key AQP1,P1,HSD,208 is ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [135] +INFO - The final index list is [135] +INFO - The key of dictionary is AQP1,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P2 +INFO - The value associated at the key AQP1,P2,HSD,208 is ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [214] +INFO - The final index list is [214] +INFO - The key of dictionary is AQP1,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P3 +INFO - The value associated at the key AQP1,P3,HSD,208 is ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [293] +INFO - The final index list is [293] +INFO - The key of dictionary is AQP1,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP1,P4 +INFO - The value associated at the key AQP1,P4,HSD,208 is ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [372] +INFO - The final index list is [372] +INFO - The key of dictionary is AQP2,P1,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P1 +INFO - The value associated at the key AQP2,P1,HSD,208 is ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [451] +INFO - The final index list is [451] +INFO - The key of dictionary is AQP2,P2,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P2 +INFO - The value associated at the key AQP2,P2,HSD,208 is ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [530] +INFO - The final index list is [530] +INFO - The key of dictionary is AQP2,P3,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P3 +INFO - The value associated at the key AQP2,P3,HSD,208 is ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'] +INFO - The pattern re.compile('HSDLEUALATHR') is searched in LEUALALEULEULEUALALEUALAALATHRLEULEULEUTHRALATHRHSDALALEULEUALAALALEUTHRALAHSDALATHRLEULEULEUALALEUALAALALEUALALEUALALEUALAALATHRTHRALAALATHRLEUTHRALATHRALAHSDLEUALALEUALAHSDLEUALATHRTHRTHRALAALAALAALAHSDALALEUALAALAALAALAHSDLEUALAALAALA +INFO - The temporary index list is [609] +INFO - The final index list is [609] +INFO - The key of dictionary is AQP2,P4,HSD,208 +INFO - The selected residue is : (resid 208) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 2812: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 6589: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 10366: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 14146: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 158602: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 162379: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 166156: CA of type C of resname HSD, resid 208 and segid SYSTEM>, <Atom 169936: CA of type C of resname HSD, resid 208 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR1,AQP2,P4 +INFO - The value associated at the key AQP2,P4,HSD,208 is ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,HSD,208': ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4']} +INFO - +Function search_amino_acids_pattern +INFO - The input list is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The input universe is <Universe with 311580 atoms> +INFO - The selected pattern is : (resname ARG or resname SER or resname PHE or resname GLY) and name CA +INFO - The list containing all the residue numbers associated with the pattern is : [ 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 92 + 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 156 + 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 224 + 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 49 + 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 116 + 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 185 + 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 265 + 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 + 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 + 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 + 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 81 84 + 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 148 149 + 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 218 223 + 224 225 226 243 246 248 250 263 265 271 272 25 28 34 35 36 37 43 + 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 113 + 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 179 + 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 263 + 265 271 272 25 28 34 35 36 37 43 49 59 68 69 71 74 79 80 + 81 84 92 94 95 96 104 105 110 113 116 119 127 131 133 138 145 147 + 148 149 156 158 160 164 169 171 178 179 185 186 188 190 201 202 205 216 + 218 223 224 225 226 243 246 248 250 263 265 271 25 28 34 35 36 37 + 43 49 59 68 69 71 74 79 80 81 84 92 94 95 96 104 105 110 + 113 116 119 127 131 133 138 145 147 148 149 156 158 160 164 169 171 178 + 179 185 186 188 190 201 202 205 216 218 223 224 225 226 243 246 248 250 + 263 265] +INFO - The list containing all the residue names associated with the pattern is : ['PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' + 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' + 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' + 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' + 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' + 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' + 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' + 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' + 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'PHE' + 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' + 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' + 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' + 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' + 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' + 'GLY' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' + 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' + 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' + 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' + 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' + 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' + 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' + 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' + 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' + 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' + 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' 'SER' 'PHE' 'GLY' 'SER' + 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'GLY' + 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' 'SER' 'ARG' 'GLY' + 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' 'SER' 'GLY' 'GLY' + 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' 'PHE' 'PHE' 'GLY' + 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' 'ARG' 'GLY' 'GLY' + 'PHE' 'GLY' 'SER' 'PHE' 'PHE' 'ARG' 'PHE' 'PHE' 'GLY' 'GLY' 'GLY' 'GLY' + 'GLY' 'PHE' 'GLY' 'GLY' 'PHE' 'GLY' 'SER' 'GLY' 'GLY' 'PHE' 'GLY' 'ARG' + 'SER' 'ARG' 'GLY' 'GLY' 'GLY' 'GLY' 'PHE' 'SER' 'GLY' 'GLY' 'GLY' 'GLY' + 'SER' 'GLY' 'GLY' 'GLY' 'PHE' 'PHE' 'SER' 'ARG' 'SER' 'ARG' 'SER' 'GLY' + 'PHE' 'PHE' 'GLY' 'GLY' 'ARG' 'SER' 'PHE' 'GLY' 'PHE' 'GLY' 'PHE' 'GLY' + 'ARG' 'GLY'] +INFO - The list containing the lists of numbers and names of residues associated with the pattern is : [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - +Function calculate_length_proto +INFO - The input list is [25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265] +INFO - The length of the protomer 1 is 64 residues +INFO - The length of the protomer 2 is 64 residues +INFO - The length of the protomer 3 is 63 residues +INFO - The length of the protomer 4 is 62 residues +INFO - The length of the protomer 5 is 64 residues +INFO - The length of the protomer 6 is 64 residues +INFO - The length of the protomer 7 is 63 residues +INFO - The length of the protomer 8 is 62 residues +INFO - +Function create_config_file +INFO - The input list is [64, 64, 63, 62, 64, 64, 63, 62] +INFO - AQP1,P1 starts at index 0 and finish at index 63 +INFO - AQP1,P2 starts at index 63 and finish at index 127 +INFO - AQP1,P3 starts at index 127 and finish at index 190 +INFO - AQP1,P4 starts at index 190 and finish at index 252 +INFO - AQP2,P1 starts at index 252 and finish at index 316 +INFO - AQP2,P2 starts at index 316 and finish at index 380 +INFO - AQP2,P3 starts at index 380 and finish at index 443 +INFO - AQP2,P4 starts at index 443 and finish at index 505 +INFO - The sections of the settings object are : ['AQP1,P1', 'AQP1,P2', 'AQP1,P3', 'AQP1,P4', 'AQP2,P1', 'AQP2,P2', 'AQP2,P3', 'AQP2,P4'] +INFO - The keys for each section of the settings object are: ['start', 'end'] +INFO - +Function search_pattern +INFO - The first input argument is [array([ 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, + 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, + 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, + 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, + 223, 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, + 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, + 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, + 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, + 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, + 224, 225, 226, 243, 246, 248, 250, 263, 265, 271, 272, 25, 28, + 34, 35, 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, + 81, 84, 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, + 131, 133, 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, + 178, 179, 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, + 225, 226, 243, 246, 248, 250, 263, 265, 271, 25, 28, 34, 35, + 36, 37, 43, 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, + 92, 94, 95, 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, + 138, 145, 147, 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, + 185, 186, 188, 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, + 243, 246, 248, 250, 263, 265, 25, 28, 34, 35, 36, 37, 43, + 49, 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, + 96, 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, + 148, 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, + 190, 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, + 250, 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, + 59, 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, + 104, 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, + 149, 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, + 201, 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, + 263, 265, 271, 272, 25, 28, 34, 35, 36, 37, 43, 49, 59, + 68, 69, 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, + 105, 110, 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, + 156, 158, 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, + 202, 205, 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, + 265, 271, 25, 28, 34, 35, 36, 37, 43, 49, 59, 68, 69, + 71, 74, 79, 80, 81, 84, 92, 94, 95, 96, 104, 105, 110, + 113, 116, 119, 127, 131, 133, 138, 145, 147, 148, 149, 156, 158, + 160, 164, 169, 171, 178, 179, 185, 186, 188, 190, 201, 202, 205, + 216, 218, 223, 224, 225, 226, 243, 246, 248, 250, 263, 265]), array(['PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', 'GLY', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', 'GLY', + 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', 'GLY', + 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', 'GLY', + 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', 'SER', + 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', 'SER', + 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', 'GLY', + 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', 'PHE', + 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', 'PHE', + 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', 'ARG', + 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', 'GLY', + 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', 'ARG', + 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', 'ARG', + 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', 'GLY', + 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', 'PHE', + 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', 'GLY', + 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', 'SER', + 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', 'GLY', + 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', 'SER', + 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', 'GLY', + 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', 'ARG', + 'GLY', 'GLY', 'SER', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY', 'GLY', 'PHE', 'GLY', 'SER', 'PHE', 'PHE', 'ARG', + 'PHE', 'PHE', 'GLY', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'GLY', + 'GLY', 'PHE', 'GLY', 'SER', 'GLY', 'GLY', 'PHE', 'GLY', 'ARG', + 'SER', 'ARG', 'GLY', 'GLY', 'GLY', 'GLY', 'PHE', 'SER', 'GLY', + 'GLY', 'GLY', 'GLY', 'SER', 'GLY', 'GLY', 'GLY', 'PHE', 'PHE', + 'SER', 'ARG', 'SER', 'ARG', 'SER', 'GLY', 'PHE', 'PHE', 'GLY', + 'GLY', 'ARG', 'SER', 'PHE', 'GLY', 'PHE', 'GLY', 'PHE', 'GLY', + 'ARG', 'GLY'], dtype=object)] +INFO - The second input argument is a configParser object +INFO - The third input argument is ['ARG', 'SER', 'PHE', 'GLY'] +INFO - The fourth input argument is ArR2 +INFO - The fourth input argument is <Universe with 311580 atoms> +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in PHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [52] +INFO - The final index list is [52] +INFO - The key of dictionary is AQP1,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P1 +INFO - The value associated at the key AQP1,P1,ARG,223 is ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [116] +INFO - The final index list is [116] +INFO - The key of dictionary is AQP1,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P2 +INFO - The value associated at the key AQP1,P2,ARG,223 is ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [180] +INFO - The final index list is [180] +INFO - The key of dictionary is AQP1,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P3 +INFO - The value associated at the key AQP1,P3,ARG,223 is ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [243] +INFO - The final index list is [243] +INFO - The key of dictionary is AQP1,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP1,P4 +INFO - The value associated at the key AQP1,P4,ARG,223 is ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [305] +INFO - The final index list is [305] +INFO - The key of dictionary is AQP2,P1,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P1 +INFO - The value associated at the key AQP2,P1,ARG,223 is ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLYGLY +INFO - The temporary index list is [369] +INFO - The final index list is [369] +INFO - The key of dictionary is AQP2,P2,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P2 +INFO - The value associated at the key AQP2,P2,ARG,223 is ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in SERPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARGGLY +INFO - The temporary index list is [433] +INFO - The final index list is [433] +INFO - The key of dictionary is AQP2,P3,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P3 +INFO - The value associated at the key AQP2,P3,ARG,223 is ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'] +INFO - The pattern re.compile('ARGSERPHEGLY') is searched in GLYPHEGLYSERPHEPHEARGPHEPHEGLYGLYGLYGLYGLYPHEGLYGLYPHEGLYSERGLYGLYPHEGLYARGSERARGGLYGLYGLYGLYPHESERGLYGLYGLYGLYSERGLYGLYGLYPHEPHESERARGSERARGSERGLYPHEPHEGLYGLYARGSERPHEGLYPHEGLYPHEGLYARG +INFO - The temporary index list is [496] +INFO - The final index list is [496] +INFO - The key of dictionary is AQP2,P4,ARG,223 +INFO - The selected residue is : (resid 223) and name CA +INFO - The AtomGroup is <AtomGroup [<Atom 3023: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 6800: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 10577: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 14357: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 158813: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 162590: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 166367: CA of type C of resname ARG, resid 223 and segid SYSTEM>, <Atom 170147: CA of type C of resname ARG, resid 223 and segid SYSTEM>]> +INFO - The key of next dictionary is ArR2,AQP2,P4 +INFO - The value associated at the key AQP2,P4,ARG,223 is ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4'] +INFO - The dictionary contains{'AQP1,P1,ARG,223': ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - +Function search_resid_positions +INFO - The input dictionary is {'AQP1,P1,HSD,208': ['HSD', 208, array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR1,AQP1,P1'], 'AQP1,P2,HSD,208': ['HSD', 208, array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR1,AQP1,P2'], 'AQP1,P3,HSD,208': ['HSD', 208, array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR1,AQP1,P3'], 'AQP1,P4,HSD,208': ['HSD', 208, array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR1,AQP1,P4'], 'AQP2,P1,HSD,208': ['HSD', 208, array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR1,AQP2,P1'], 'AQP2,P2,HSD,208': ['HSD', 208, array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR1,AQP2,P2'], 'AQP2,P3,HSD,208': ['HSD', 208, array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR1,AQP2,P3'], 'AQP2,P4,HSD,208': ['HSD', 208, array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR1,AQP2,P4'], 'AQP1,P1,ARG,223': ['ARG', 223, array([83.42, 60.77, 61.61], dtype=float32), 'ArR2,AQP1,P1'], 'AQP1,P2,ARG,223': ['ARG', 223, array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR2,AQP1,P2'], 'AQP1,P3,ARG,223': ['ARG', 223, array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR2,AQP1,P3'], 'AQP1,P4,ARG,223': ['ARG', 223, array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR2,AQP1,P4'], 'AQP2,P1,ARG,223': ['ARG', 223, array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR2,AQP2,P1'], 'AQP2,P2,ARG,223': ['ARG', 223, array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR2,AQP2,P2'], 'AQP2,P3,ARG,223': ['ARG', 223, array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR2,AQP2,P3'], 'AQP2,P4,ARG,223': ['ARG', 223, array([ 53.880005, 81.55 , 174.31001 ], dtype=float32), 'ArR2,AQP2,P4']} +INFO - The input universe is <Universe with 311580 atoms> +INFO - The dictionary contains {'ArR1,AQP1,P1': array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR2,AQP1,P1': array([83.42, 60.77, 61.61], dtype=float32), 'ArR1,AQP1,P2': array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR2,AQP1,P2': array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR1,AQP1,P3': array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR2,AQP1,P3': array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR1,AQP1,P4': array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.880005, 81.55 , 174.31001 ], dtype=float32)} +INFO - +Function calculate_euclidean_distance +INFO - The input dictionary is {'ArR1,AQP1,P1': array([73.21001 , 52.500004, 64.16 ], dtype=float32), 'ArR2,AQP1,P1': array([83.42, 60.77, 61.61], dtype=float32), 'ArR1,AQP1,P2': array([46.82 , 62.170006, 64.100006], dtype=float32), 'ArR2,AQP1,P2': array([36.81 , 54.440002, 62.340004], dtype=float32), 'ArR1,AQP1,P3': array([55.5 , 44.760002, 63.980003], dtype=float32), 'ArR2,AQP1,P3': array([63.4 , 34.670002, 62.29 ], dtype=float32), 'ArR1,AQP1,P4': array([64.880005, 70.920006, 63.47 ], dtype=float32), 'ArR2,AQP1,P4': array([57.010002, 81.42 , 60.9 ], dtype=float32), 'ArR1,AQP2,P1': array([ 70.04 , 53.030006, 176.85 ], dtype=float32), 'ArR2,AQP2,P1': array([ 80.3 , 61.530003, 174.15001 ], dtype=float32), 'ArR1,AQP2,P2': array([ 43.86 , 62.620003, 176.85 ], dtype=float32), 'ArR2,AQP2,P2': array([ 34.280003, 54.880005, 174.26001 ], dtype=float32), 'ArR1,AQP2,P3': array([ 52.3 , 44.32 , 175.76001], dtype=float32), 'ArR2,AQP2,P3': array([ 60.930004, 34.370003, 174.19 ], dtype=float32), 'ArR1,AQP2,P4': array([ 62.000004, 71.03 , 176.60002 ], dtype=float32), 'ArR2,AQP2,P4': array([ 53.880005, 81.55 , 174.31001 ], dtype=float32)} +INFO - The distance will be calculated betweenArR-ArR +INFO - Key ArR1 : ArR1,AQP1,P1 value : [73.21001 52.500004 64.16 ] +INFO - Key ArR2 : ArR2,AQP1,P1 value : [83.42 60.77 61.61] +INFO - The value associated at the key ArR1-ArR2,AQP1,P1 is 13.384293 +INFO - Key ArR1 : ArR1,AQP1,P2 value : [46.82 62.170006 64.100006] +INFO - Key ArR2 : ArR2,AQP1,P2 value : [36.81 54.440002 62.340004] +INFO - The value associated at the key ArR1-ArR2,AQP1,P2 is 12.769128 +INFO - Key ArR1 : ArR1,AQP1,P3 value : [55.5 44.760002 63.980003] +INFO - Key ArR2 : ArR2,AQP1,P3 value : [63.4 34.670002 62.29 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P3 is 12.92572 +INFO - Key ArR1 : ArR1,AQP1,P4 value : [64.880005 70.920006 63.47 ] +INFO - Key ArR2 : ArR2,AQP1,P4 value : [57.010002 81.42 60.9 ] +INFO - The value associated at the key ArR1-ArR2,AQP1,P4 is 13.371301 +INFO - Key ArR1 : ArR1,AQP2,P1 value : [ 70.04 53.030006 176.85 ] +INFO - Key ArR2 : ArR2,AQP2,P1 value : [ 80.3 61.530003 174.15001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P1 is 13.594395 +INFO - Key ArR1 : ArR1,AQP2,P2 value : [ 43.86 62.620003 176.85 ] +INFO - Key ArR2 : ArR2,AQP2,P2 value : [ 34.280003 54.880005 174.26001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P2 is 12.585389 +INFO - Key ArR1 : ArR1,AQP2,P3 value : [ 52.3 44.32 175.76001] +INFO - Key ArR2 : ArR2,AQP2,P3 value : [ 60.930004 34.370003 174.19 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P3 is 13.264401 +INFO - Key ArR1 : ArR1,AQP2,P4 value : [ 62.000004 71.03 176.60002 ] +INFO - Key ArR2 : ArR2,AQP2,P4 value : [ 53.880005 81.55 174.31001 ] +INFO - The value associated at the key ArR1-ArR2,AQP2,P4 is 13.48514 +INFO - The dictionary contains {'ArR1-ArR2,AQP1,P1': 13.384293, 'ArR1-ArR2,AQP1,P2': 12.769128, 'ArR1-ArR2,AQP1,P3': 12.92572, 'ArR1-ArR2,AQP1,P4': 13.371301, 'ArR1-ArR2,AQP2,P1': 13.594395, 'ArR1-ArR2,AQP2,P2': 12.585389, 'ArR1-ArR2,AQP2,P3': 13.264401, 'ArR1-ArR2,AQP2,P4': 13.48514}