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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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| -1:000000000000 | 0:4816e4a8ae95 |
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| 1 NAME | |
| 2 InfoAminoAcids.pl - List properties of amino acids | |
| 3 | |
| 4 SYNOPSIS | |
| 5 InfoAminoAcids.pl AminoAcidIDs... | |
| 6 | |
| 7 InfoAminoAcids.pl [-h, --help] [--outdelim comma | tab | semicolon] | |
| 8 [--output STDOUT | File] [--outputstyle AminoAcidBlock | AminoAcidRows] | |
| 9 [-o, --overwrite] [--precision number] [--propertiesmode Categories | | |
| 10 Names | All] [-p, --properties CategoryName,[CategoryName,...] | | |
| 11 PropertyName,[PropertyName,...]] [--propertieslinting ByGroup | | |
| 12 Alphabetical] [-q, --quote yes | no] [-r, --root rootname] [-w, | |
| 13 --workingdir dirname] AminoAcidIDs... | |
| 14 | |
| 15 DESCRIPTION | |
| 16 List amino acid properties. Amino acids identification supports these | |
| 17 three types of IDs: one letter code, three letter code or name. Amino | |
| 18 acid properties data, in addition to basic information about amino acids | |
| 19 - one and three letter codes, name, DNA and RNA codons, molecular weight | |
| 20 - include variety of other properties: polarity, acidity, | |
| 21 hydrophobicity, and so on. | |
| 22 | |
| 23 PARAMETERS | |
| 24 AminoAcidIDs *ThreeLetterCode [OneLetterCode AminoAcidName...]* | |
| 25 *AminoAcidIDs* is a space delimited list of values to identify amino | |
| 26 acids. | |
| 27 | |
| 28 Input value format is: *ThreeLetterCode [OneLetterCode | |
| 29 AminoAcidName...]*. Default: *Ala*. Examples: | |
| 30 | |
| 31 Ala | |
| 32 Glu A | |
| 33 Alanine Glu Y "Aspartic acid" | |
| 34 | |
| 35 OPTIONS | |
| 36 -h, --help | |
| 37 Print this help message. | |
| 38 | |
| 39 --outdelim *comma | tab | semicolon* | |
| 40 Output text file delimiter. Possible values: *comma, tab, or | |
| 41 semicolon* Default value: *comma*. | |
| 42 | |
| 43 --output *STDOUT | File* | |
| 44 List information at STDOUT or write it to a file. Possible values: | |
| 45 *STDOUT or File*. Default: *STDOUT*. -r, --root option is used to | |
| 46 generate output file name. | |
| 47 | |
| 48 --outputstyle *AminoAcidBlock | AminoAcidRows* | |
| 49 Specify how to list amino acid information: add a new line for each | |
| 50 property and present it as a block for each amino acid; or include | |
| 51 all properties in one line and show it as a single line. | |
| 52 | |
| 53 Possible values: *AminoAcidBlock | AminoAcidRows*. Default: | |
| 54 *AminoAcidBlock* | |
| 55 | |
| 56 An example for *AminoAcidBlock* output style: | |
| 57 | |
| 58 ThreeLetterCode: Ala | |
| 59 OneLetterCode: A | |
| 60 AminoAcid: Alanine | |
| 61 MolecularWeight: 89.0941 | |
| 62 ... ... | |
| 63 ... ... | |
| 64 ... ... | |
| 65 | |
| 66 ThreeLetterCode: Glu | |
| 67 OneLetterCode: E | |
| 68 AminoAcid: Glutamic acid | |
| 69 MolecularWeight: 147.1308 | |
| 70 ... ... | |
| 71 ... ... | |
| 72 ... ... | |
| 73 | |
| 74 An example for *AminoAcidRows* output style: | |
| 75 | |
| 76 ThreeLetterCode,OneLetterCode,AminoAcid,MolecularWeight | |
| 77 Ala,A,Alanine,89.0941.. | |
| 78 Glu,E,Glutamic acid,147.1308.. | |
| 79 | |
| 80 -o, --overwrite | |
| 81 Overwrite existing files. | |
| 82 | |
| 83 --precision *number* | |
| 84 Precision for listing numerical values. Default: up to *4* decimal | |
| 85 places. Valid values: positive integers. | |
| 86 | |
| 87 --propertiesmode *Categories | Names | All* | |
| 88 Specify how property names are specified: use category names; | |
| 89 explicit list of property names; or use all available properties. | |
| 90 Possible values: *Categories, Names, or All*. Default: *Categories*. | |
| 91 | |
| 92 This option is used in conjunction with -p, --properties option to | |
| 93 specify properties of interest. | |
| 94 | |
| 95 -p, --properties *CategoryName,[CategoryName,...] | | |
| 96 PropertyName,[PropertyName,...]* | |
| 97 This option is --propertiesmode specific. In general, it's a list of | |
| 98 comma separated category or property names. | |
| 99 | |
| 100 Specify which amino acid properties information to list for the | |
| 101 amino acid IDs specified using command: line parameters: list basic | |
| 102 and/or hydrophobicity information; list all available information; | |
| 103 or specify a comma separated list of amino acid property names. | |
| 104 | |
| 105 Possible values: *Basic | BasicPlus | BasicAndHydrophobicity | | |
| 106 BasicAndHydrophobicityPlus | PropertyName,[PropertyName,...]*. | |
| 107 Default: *Basic*. | |
| 108 | |
| 109 *Basic* includes: *ThreeLetterCode, OneLetterCode, AminoAcid, | |
| 110 DNACodons, RNACodons, ChemicalFormula, MolecularWeight, | |
| 111 LinearStructure, LinearStructureAtpH7.4* | |
| 112 | |
| 113 *BasicPlus* includes: *ThreeLetterCode, OneLetterCode, AminoAcid, | |
| 114 DNACodons, RNACodons, AcidicBasic, PolarNonpolar, Charged, Aromatic, | |
| 115 HydrophobicHydophilic, IsoelectricPoint, pKCOOH, pKNH3+, | |
| 116 ChemicalFormula, MolecularWeight, ExactMass, | |
| 117 ChemicalFormulaMinusH2O, MolecularWeightMinusH2O(18.01524), | |
| 118 ExactMassMinusH2O(18.01056), LinearStructure, | |
| 119 LinearStructureAtpH7.4* | |
| 120 | |
| 121 *BasicAndHydrophobicity* includes: *ThreeLetterCode, OneLetterCode, | |
| 122 AminoAcid, DNACodons, RNACodons, ChemicalFormula, MolecularWeight, | |
| 123 LinearStructure, LinearStructureAtpH7.4, | |
| 124 HydrophobicityEisenbergAndOthers, HydrophobicityHoppAndWoods, | |
| 125 HydrophobicityJanin, HydrophobicityKyteAndDoolittle, | |
| 126 HydrophobicityRoseAndOthers, HydrophobicityWolfendenAndOthers* | |
| 127 | |
| 128 *BasicAndHydrophobicityPlus* includes: *(ThreeLetterCode, | |
| 129 OneLetterCode, AminoAcid, DNACodons, RNACodons, ChemicalFormula, | |
| 130 MolecularWeight, LinearStructure, LinearStructureAtpH7.4, | |
| 131 HydrophobicityAbrahamAndLeo, HydrophobicityBlack, | |
| 132 HydrophobicityBullAndBreese, HydrophobicityChothia, | |
| 133 HydrophobicityEisenbergAndOthers, HydrophobicityFauchereAndOthers, | |
| 134 HydrophobicityGuy, HydrophobicityHPLCAtpH3.4Cowan, | |
| 135 HydrophobicityHPLCAtpH7.5Cowan, HydrophobicityHPLCParkerAndOthers, | |
| 136 HydrophobicityHPLCWilsonAndOthers, HydrophobicityHoppAndWoods, | |
| 137 HydrophobicityJanin, HydrophobicityKyteAndDoolittle, | |
| 138 HydrophobicityManavalanAndOthers, HydrophobicityMiyazawaAndOthers, | |
| 139 HydrophobicityOMHSweetAndOthers, HydrophobicityRaoAndArgos, | |
| 140 HydrophobicityRfMobility, HydrophobicityRoseAndOthers, | |
| 141 HydrophobicityRoseman, HydrophobicityWellingAndOthers, | |
| 142 HydrophobicityWolfendenAndOthers* | |
| 143 | |
| 144 Here is a complete list of available properties: ThreeLetterCode, | |
| 145 OneLetterCode, AminoAcid, DNACodons, RNACodons, AcidicBasic, | |
| 146 PolarNonpolar, Charged, Aromatic, HydrophobicHydophilic, | |
| 147 IsoelectricPoint, pKCOOH, pKNH3+, ChemicalFormula, MolecularWeight, | |
| 148 ExactMass, ChemicalFormulaMinusH2O, | |
| 149 MolecularWeightMinusH2O(18.01524), ExactMassMinusH2O(18.01056), | |
| 150 vanderWaalsVolume, %AccessibleResidues, %BuriedResidues, | |
| 151 AlphaHelixChouAndFasman, AlphaHelixDeleageAndRoux, AlphaHelixLevitt, | |
| 152 AminoAcidsComposition, AminoAcidsCompositionInSwissProt, | |
| 153 AntiparallelBetaStrand, AverageAreaBuried, AverageFlexibility, | |
| 154 BetaSheetChouAndFasman, BetaSheetDeleageAndRoux, BetaSheetLevitt, | |
| 155 BetaTurnChouAndFasman, BetaTurnDeleageAndRoux, BetaTurnLevitt, | |
| 156 Bulkiness, CoilDeleageAndRoux, HPLCHFBARetention, | |
| 157 HPLCRetentionAtpH2.1, HPLCRetentionAtpH7.4, HPLCTFARetention, | |
| 158 HydrophobicityAbrahamAndLeo, HydrophobicityBlack, | |
| 159 HydrophobicityBullAndBreese, HydrophobicityChothia, | |
| 160 HydrophobicityEisenbergAndOthers, HydrophobicityFauchereAndOthers, | |
| 161 HydrophobicityGuy, HydrophobicityHPLCAtpH3.4Cowan, | |
| 162 HydrophobicityHPLCAtpH7.5Cowan, HydrophobicityHPLCParkerAndOthers, | |
| 163 HydrophobicityHPLCWilsonAndOthers, HydrophobicityHoppAndWoods, | |
| 164 HydrophobicityJanin, HydrophobicityKyteAndDoolittle, | |
| 165 HydrophobicityManavalanAndOthers, HydrophobicityMiyazawaAndOthers, | |
| 166 HydrophobicityOMHSweetAndOthers, HydrophobicityRaoAndArgos, | |
| 167 HydrophobicityRfMobility, HydrophobicityRoseAndOthers, | |
| 168 HydrophobicityRoseman, HydrophobicityWellingAndOthers, | |
| 169 HydrophobicityWolfendenAndOthers, ParallelBetaStrand, | |
| 170 PolarityGrantham, PolarityZimmerman, RatioHeteroEndToSide, | |
| 171 RecognitionFactors, Refractivity, RelativeMutability, | |
| 172 TotalBetaStrand, LinearStructure, LinearStructureAtpH7.4 | |
| 173 | |
| 174 --propertieslisting *ByGroup | Alphabetical* | |
| 175 Specify how to list properties for amino acids: group by category or | |
| 176 an alphabetical by property names. Possible values: *ByGroup or | |
| 177 Alphabetical*. Default: *ByGroup*. | |
| 178 | |
| 179 -q, --quote *yes | no* | |
| 180 Put quotes around column values in output text file. Possible | |
| 181 values: *yes or no*. Default value: *yes*. | |
| 182 | |
| 183 -r, --root *rootname* | |
| 184 New text file name is generated using the root: <Root>.<Ext>. File | |
| 185 name is only used during *File* value of -o, --output option. | |
| 186 | |
| 187 Default file name: AminoAcidInfo<mode>.<Ext>. The csv, and tsv <Ext> | |
| 188 values are used for comma/semicolon, and tab delimited text files | |
| 189 respectively. | |
| 190 | |
| 191 -w, --workingdir *dirname* | |
| 192 Location of working directory. Default: current directory. | |
| 193 | |
| 194 EXAMPLES | |
| 195 To list basic properties information for amino acid Ala, type: | |
| 196 | |
| 197 % InfoAminoAcids.pl | |
| 198 | |
| 199 To list all available properties information for amino acid Ala, type: | |
| 200 | |
| 201 % InfoAminoAcids.pl --propertiesmode all | |
| 202 | |
| 203 To list basic properties information for amino acids Ala, Arg, and Asp | |
| 204 type: | |
| 205 | |
| 206 % InfoAminoAcids.pl Ala Arg Asp | |
| 207 % InfoAminoAcids.pl A Arg "Aspartic acid" | |
| 208 | |
| 209 To list all available properties information for amino acids Ala, Arg, | |
| 210 and Asp type: | |
| 211 | |
| 212 % InfoAminoAcids.pl --propertiesmode all Ala Arg Asp | |
| 213 | |
| 214 To list basic and hydrophobicty properties information for amino acids | |
| 215 Ala, Arg, and Asp type: | |
| 216 | |
| 217 % InfoAminoAcids.pl --propertiesmode Categories | |
| 218 --properties BasicAndHydrophobicity Ala Arg Asp | |
| 219 | |
| 220 To list OneLetterCode, ThreeLetterCode, DNACodons, and MolecularWeight | |
| 221 for amino acids Ala, Arg, and Asp type: | |
| 222 | |
| 223 % InfoAminoAcids.pl --propertiesmode Names | |
| 224 --properties OneLetterCode,ThreeLetterCode,DNACodons,MolecularWeight | |
| 225 Ala Arg Asp | |
| 226 | |
| 227 To alphabetically list basic and hydrophobicty properties information | |
| 228 for amino acids Ala, Arg, and Asp in rows insetad of amino acid blocks | |
| 229 with quotes around the values, type: | |
| 230 | |
| 231 % InfoAminoAcids.pl --propertiesmode Categories | |
| 232 --properties BasicAndHydrophobicity --propertieslisting alphabetical | |
| 233 --outdelim comma --outputstyle AminoAcidRows --quote yes Ala Arg Asp | |
| 234 | |
| 235 To alphabetically list basic and hydrophobicty properties information | |
| 236 for amino acids Ala, Arg, and Asp in rows insetad of amino acid blocks | |
| 237 with quotes around the values and write them into a file | |
| 238 AminoAcidProperties.csv, type: | |
| 239 | |
| 240 % InfoAminoAcids.pl --propertiesmode Categories | |
| 241 --properties BasicAndHydrophobicity --propertieslisting alphabetical | |
| 242 --outdelim comma --outputstyle AminoAcidRows --quote yes | |
| 243 --output File -r AminoAcidProperties -o Ala Arg Asp | |
| 244 | |
| 245 AUTHOR | |
| 246 Manish Sud <msud@san.rr.com> | |
| 247 | |
| 248 SEE ALSO | |
| 249 InfoNucleicAcids.pl InfoPeriodicTableElements.pl | |
| 250 | |
| 251 COPYRIGHT | |
| 252 Copyright (C) 2015 Manish Sud. All rights reserved. | |
| 253 | |
| 254 This file is part of MayaChemTools. | |
| 255 | |
| 256 MayaChemTools is free software; you can redistribute it and/or modify it | |
| 257 under the terms of the GNU Lesser General Public License as published by | |
| 258 the Free Software Foundation; either version 3 of the License, or (at | |
| 259 your option) any later version. | |
| 260 |
