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124 .\" ========================================================================
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125 .\"
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126 .IX Title "FINGERPRINTSSTRINGUTIL 1"
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127 .TH FINGERPRINTSSTRINGUTIL 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
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128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
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129 .\" way too many mistakes in technical documents.
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130 .if n .ad l
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131 .nh
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132 .SH "NAME"
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133 FingerprintsStringUtil
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134 .SH "SYNOPSIS"
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135 .IX Header "SYNOPSIS"
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136 use Fingerprints::FingerprintsStringUtil;
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137 .PP
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138 use Fingerprints::FingerprintsStringUtil qw(:all);
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139 .SH "DESCRIPTION"
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140 .IX Header "DESCRIPTION"
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141 \&\fBFingerprintsStringUtil\fR module provides the following functions:
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142 .PP
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143 AreFingerprintsStringValuesValid, GenerateFingerprintsBitVectorString,
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144 GenerateFingerprintsString, GenerateFingerprintsVectorString,
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145 GetDefaultBitStringFormat, GetDefaultBitsOrder, GetDefaultVectorStringFormat,
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146 GetFingeprintsStringDelimiter, GetFingerprintsStringTypeAndDescription,
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147 GetFingerprintsStringValues, ParseFingerprintsBitVectorString,
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148 ParseFingerprintsString, ParseFingerprintsVectorString
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149 .PP
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150 The current release of MayaChemTools supports the following types of fingerprint
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151 bit-vector and vector strings:
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152 .PP
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153 .Vb 6
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154 \& FingerprintsVector;AtomNeighborhoods:AtomicInvariantsAtomTypes:MinRadi
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155 \& us0:MaxRadius2;41;AlphaNumericalValues;ValuesString;NR0\-C.X1.BO1.H3\-AT
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156 \& C1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-ATC1 NR0\-C.X
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157 \& 1.BO1.H3\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2\-C.X1.BO1.H3\-ATC1:NR2\-C.X3.BO4\-A
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158 \& TC1 NR0\-C.X2.BO2.H2\-ATC1:NR1\-C.X2.BO2.H2\-ATC1:NR1\-C.X3.BO3.H1\-ATC1:NR2
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159 \& \-C.X2.BO2.H2\-ATC1:NR2\-N.X3.BO3\-ATC1:NR2\-O.X1.BO1.H1\-ATC1 NR0\-C.X2.B...
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160 \&
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161 \& FingerprintsVector;AtomTypesCount:AtomicInvariantsAtomTypes:ArbitraryS
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162 \& ize;10;NumericalValues;IDsAndValuesString;C.X1.BO1.H3 C.X2.BO2.H2 C.X2
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163 \& .BO3.H1 C.X3.BO3.H1 C.X3.BO4 F.X1.BO1 N.X2.BO2.H1 N.X3.BO3 O.X1.BO1.H1
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164 \& O.X1.BO2;2 4 14 3 10 1 1 1 3 2
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165 \&
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166 \& FingerprintsVector;AtomTypesCount:SLogPAtomTypes:ArbitrarySize;16;Nume
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167 \& ricalValues;IDsAndValuesString;C1 C10 C11 C14 C18 C20 C21 C22 C5 CS F
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168 \& N11 N4 O10 O2 O9;5 1 1 1 14 4 2 1 2 2 1 1 1 1 3 1
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169 \&
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170 \& FingerprintsVector;AtomTypesCount:SLogPAtomTypes:FixedSize;67;OrderedN
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171 \& umericalValues;IDsAndValuesString;C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C
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172 \& 12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 CS N1 N
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173 \& 2 N3 N4 N5 N6 N7 N8 N9 N10 N11 N12 N13 N14 NS O1 O2 O3 O4 O5 O6 O7 O8
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174 \& O9 O10 O11 O12 OS F Cl Br I Hal P S1 S2 S3 Me1 Me2;5 0 0 0 2 0 0 0 0 1
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175 \& 1 0 0 1 0 0 0 14 0 4 2 1 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0...
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176 \&
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177 \& FingerprintsVector;EStateIndicies:ArbitrarySize;11;NumericalValues;IDs
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178 \& AndValuesString;SaaCH SaasC SaasN SdO SdssC SsCH3 SsF SsOH SssCH2 SssN
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179 \& H SsssCH;24.778 4.387 1.993 25.023 \-1.435 3.975 14.006 29.759 \-0.073 3
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180 \& .024 \-2.270
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181 \&
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182 \& FingerprintsVector;EStateIndicies:FixedSize;87;OrderedNumericalValues;
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183 \& ValuesString;0 0 0 0 0 0 0 3.975 0 \-0.073 0 0 24.778 \-2.270 0 0 \-1.435
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184 \& 4.387 0 0 0 0 0 0 3.024 0 0 0 0 0 0 0 1.993 0 29.759 25.023 0 0 0 0 1
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185 \& 4.006 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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186 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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187 \&
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188 \& FingerprintsVector;ExtendedConnectivity:AtomicInvariantsAtomTypes:Radi
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189 \& us2;60;AlphaNumericalValues;ValuesString;73555770 333564680 352413391
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190 \& 666191900 1001270906 1371674323 1481469939 1977749791 2006158649 21414
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191 \& 08799 49532520 64643108 79385615 96062769 273726379 564565671 85514103
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192 \& 5 906706094 988546669 1018231313 1032696425 1197507444 1331250018 1338
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193 \& 532734 1455473691 1607485225 1609687129 1631614296 1670251330 17303...
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194 \&
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195 \& FingerprintsVector;ExtendedConnectivityCount:AtomicInvariantsAtomTypes
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196 \& :Radius2;60;NumericalValues;IDsAndValuesString;73555770 333564680 3524
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197 \& 13391 666191900 1001270906 1371674323 1481469939 1977749791 2006158649
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198 \& 2141408799 49532520 64643108 79385615 96062769 273726379 564565671...;
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199 \& 3 2 1 1 14 1 2 10 4 3 1 1 1 1 2 1 2 1 1 1 2 3 1 1 2 1 3 3 8 2 2 2 6 2
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200 \& 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1
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201 \&
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202 \& FingerprintsBitVector;ExtendedConnectivityBits:AtomicInvariantsAtomTyp
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203 \& es:Radius2;1024;BinaryString;Ascending;0000000000000000000000000000100
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204 \& 0000000001010000000110000011000000000000100000000000000000000000100001
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205 \& 1000000110000000000000000000000000010011000000000000000000000000010000
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206 \& 0000000000000000000000000010000000000000000001000000000000000000000000
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207 \& 0000000000010000100001000000000000101000000000000000100000000000000...
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208 \&
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209 \& FingerprintsVector;ExtendedConnectivity:FunctionalClassAtomTypes:Radiu
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210 \& s2;57;AlphaNumericalValues;ValuesString;24769214 508787397 850393286 8
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211 \& 62102353 981185303 1231636850 1649386610 1941540674 263599683 32920567
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212 \& 1 571109041 639579325 683993318 723853089 810600886 885767127 90326012
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213 \& 7 958841485 981022393 1126908698 1152248391 1317567065 1421489994 1455
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214 \& 632544 1557272891 1826413669 1983319256 2015750777 2029559552 20404...
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215 \&
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216 \& FingerprintsVector;ExtendedConnectivity:EStateAtomTypes:Radius2;62;Alp
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217 \& haNumericalValues;ValuesString;25189973 528584866 662581668 671034184
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218 \& 926543080 1347067490 1738510057 1759600920 2034425745 2097234755 21450
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219 \& 44754 96779665 180364292 341712110 345278822 386540408 387387308 50430
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220 \& 1706 617094135 771528807 957666640 997798220 1158349170 1291258082 134
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221 \& 1138533 1395329837 1420277211 1479584608 1486476397 1487556246 1566...
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222 \&
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223 \& FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
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224 \& 0000000000000000000000000000000001001000010010000000010010000000011100
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225 \& 0100101010111100011011000100110110000011011110100110111111111111011111
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226 \& 11111111111110111000
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227 \&
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228 \& FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
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229 \& 1110011111100101111111000111101100110000000000000011100010000000000000
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230 \& 0000000000000000000000000000000000000000000000101000000000000000000000
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231 \& 0000000000000000000000000000000000000000000000000000000000000000000000
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232 \& 0000000000000000000000000000000000000011000000000000000000000000000000
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233 \& 0000000000000000000000000000000000000000
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234 \&
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235 \& FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
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236 \& ng;0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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237 \& 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0
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238 \& 0 0 0 0 1 1 8 0 0 0 1 0 0 1 0 1 0 1 0 3 1 3 1 0 0 0 1 2 0 11 1 0 0 0
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239 \& 5 0 0 1 2 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 0 4 0 0 1 1 0 4 6 1 1 1 2 1 1
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240 \& 3 5 2 2 0 5 3 5 1 1 2 5 1 2 1 2 4 8 3 5 5 2 2 0 3 5 4 1
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241 \&
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242 \& FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
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243 \& ng;14 8 2 0 2 0 4 4 2 1 4 0 0 2 5 10 5 2 1 0 0 2 0 5 13 3 28 5 5 3 0 0
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244 \& 0 4 2 1 1 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22 5 3 0 0 0 1 0
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245 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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246 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 0 2 0 0 0 0 0 0 0 0 0
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247 \& 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ...
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248 \&
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249 \& FingerprintsBitVector;PathLengthBits:AtomicInvariantsAtomTypes:MinLeng
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250 \& th1:MaxLength8;1024;BinaryString;Ascending;001000010011010101011000110
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251 \& 0100010101011000101001011100110001000010001001101000001001001001001000
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252 \& 0010110100000111001001000001001010100100100000000011000000101001011100
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253 \& 0010000001000101010100000100111100110111011011011000000010110111001101
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254 \& 0101100011000000010001000011000010100011101100001000001000100000000...
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255 \&
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256 \& FingerprintsVector;PathLengthCount:AtomicInvariantsAtomTypes:MinLength
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257 \& 1:MaxLength8;432;NumericalValues;IDsAndValuesPairsString;C.X1.BO1.H3 2
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258 \& C.X2.BO2.H2 4 C.X2.BO3.H1 14 C.X3.BO3.H1 3 C.X3.BO4 10 F.X1.BO1 1 N.X
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259 \& 2.BO2.H1 1 N.X3.BO3 1 O.X1.BO1.H1 3 O.X1.BO2 2 C.X1.BO1.H3C.X3.BO3.H1
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260 \& 2 C.X2.BO2.H2C.X2.BO2.H2 1 C.X2.BO2.H2C.X3.BO3.H1 4 C.X2.BO2.H2C.X3.BO
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261 \& 4 1 C.X2.BO2.H2N.X3.BO3 1 C.X2.BO3.H1:C.X2.BO3.H1 10 C.X2.BO3.H1:C....
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262 \&
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263 \& FingerprintsVector;PathLengthCount:MMFF94AtomTypes:MinLength1:MaxLengt
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264 \& h8;463;NumericalValues;IDsAndValuesPairsString;C5A 2 C5B 2 C=ON 1 CB 1
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265 \& 8 COO 1 CR 9 F 1 N5 1 NC=O 1 O=CN 1 O=CO 1 OC=O 1 OR 2 C5A:C5B 2 C5A:N
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266 \& 5 2 C5ACB 1 C5ACR 1 C5B:C5B 1 C5BC=ON 1 C5BCB 1 C=ON=O=CN 1 C=ONNC=O 1
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267 \& CB:CB 18 CBF 1 CBNC=O 1 COO=O=CO 1 COOCR 1 COOOC=O 1 CRCR 7 CRN5 1 CR
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268 \& OR 2 C5A:C5B:C5B 2 C5A:C5BC=ON 1 C5A:C5BCB 1 C5A:N5:C5A 1 C5A:N5CR ...
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269 \&
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270 \& FingerprintsVector;TopologicalAtomPairs:AtomicInvariantsAtomTypes:MinD
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271 \& istance1:MaxDistance10;223;NumericalValues;IDsAndValuesString;C.X1.BO1
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272 \& .H3\-D1\-C.X3.BO3.H1 C.X2.BO2.H2\-D1\-C.X2.BO2.H2 C.X2.BO2.H2\-D1\-C.X3.BO3.
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273 \& H1 C.X2.BO2.H2\-D1\-C.X3.BO4 C.X2.BO2.H2\-D1\-N.X3.BO3 C.X2.BO3.H1\-D1\-...;
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274 \& 2 1 4 1 1 10 8 1 2 6 1 2 2 1 2 1 2 2 1 2 1 5 1 10 12 2 2 1 2 1 9 1 3 1
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275 \& 1 1 2 2 1 3 6 1 6 14 2 2 2 3 1 3 1 8 2 2 1 3 2 6 1 2 2 5 1 3 1 23 1...
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276 \&
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277 \& FingerprintsVector;TopologicalAtomPairs:FunctionalClassAtomTypes:MinDi
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278 \& stance1:MaxDistance10;144;NumericalValues;IDsAndValuesString;Ar\-D1\-Ar
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279 \& Ar\-D1\-Ar.HBA Ar\-D1\-HBD Ar\-D1\-Hal Ar\-D1\-None Ar.HBA\-D1\-None HBA\-D1\-NI H
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280 \& BA\-D1\-None HBA.HBD\-D1\-NI HBA.HBD\-D1\-None HBD\-D1\-None NI\-D1\-None No...;
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281 \& 23 2 1 1 2 1 1 1 1 2 1 1 7 28 3 1 3 2 8 2 1 1 1 5 1 5 24 3 3 4 2 13 4
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282 \& 1 1 4 1 5 22 4 4 3 1 19 1 1 1 1 1 2 2 3 1 1 8 25 4 5 2 3 1 26 1 4 1 ...
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283 \&
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284 \& FingerprintsVector;TopologicalAtomTorsions:AtomicInvariantsAtomTypes;3
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285 \& 3;NumericalValues;IDsAndValuesString;C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-
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286 \& C.X3.BO4 C.X1.BO1.H3\-C.X3.BO3.H1\-C.X3.BO4\-N.X3.BO3 C.X2.BO2.H2\-C.X2.BO
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287 \& 2.H2\-C.X3.BO3.H1\-C.X2.BO2.H2 C.X2.BO2.H2\-C.X2.BO2.H2\-C.X3.BO3.H1\-O...;
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288 \& 2 2 1 1 2 2 1 1 3 4 4 8 4 2 2 6 2 2 1 2 1 1 2 1 1 2 6 2 4 2 1 3 1
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289 \&
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290 \& FingerprintsVector;TopologicalAtomTorsions:EStateAtomTypes;36;Numerica
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291 \& lValues;IDsAndValuesString;aaCH\-aaCH\-aaCH\-aaCH aaCH\-aaCH\-aaCH\-aasC aaC
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292 \& H\-aaCH\-aasC\-aaCH aaCH\-aaCH\-aasC\-aasC aaCH\-aaCH\-aasC\-sF aaCH\-aaCH\-aasC\-
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293 \& ssNH aaCH\-aasC\-aasC\-aasC aaCH\-aasC\-aasC\-aasN aaCH\-aasC\-ssNH\-dssC a...;
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294 \& 4 4 8 4 2 2 6 2 2 2 4 3 2 1 3 3 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2
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295 \&
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296 \& FingerprintsVector;TopologicalAtomTriplets:AtomicInvariantsAtomTypes:M
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297 \& inDistance1:MaxDistance10;3096;NumericalValues;IDsAndValuesString;C.X1
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298 \& .BO1.H3\-D1\-C.X1.BO1.H3\-D1\-C.X3.BO3.H1\-D2 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D1
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299 \& 0\-C.X3.BO4\-D9 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D3\-N.X3.BO3\-D4 C.X1.BO1.H3\-D1
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300 \& \-C.X2.BO2.H2\-D4\-C.X2.BO2.H2\-D5 C.X1.BO1.H3\-D1\-C.X2.BO2.H2\-D6\-C.X3....;
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301 \& 1 2 2 2 2 2 2 2 8 8 4 8 4 4 2 2 2 2 4 2 2 2 4 2 2 2 2 1 2 2 4 4 4 2 2
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302 \& 2 4 4 4 8 4 4 2 4 4 4 2 4 4 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 8...
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303 \&
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304 \& FingerprintsVector;TopologicalAtomTriplets:SYBYLAtomTypes:MinDistance1
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305 \& :MaxDistance10;2332;NumericalValues;IDsAndValuesString;C.2\-D1\-C.2\-D9\-C
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306 \& .3\-D10 C.2\-D1\-C.2\-D9\-C.ar\-D10 C.2\-D1\-C.3\-D1\-C.3\-D2 C.2\-D1\-C.3\-D10\-C.3\-
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307 \& D9 C.2\-D1\-C.3\-D2\-C.3\-D3 C.2\-D1\-C.3\-D2\-C.ar\-D3 C.2\-D1\-C.3\-D3\-C.3\-D4 C.2
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308 \& \-D1\-C.3\-D3\-N.ar\-D4 C.2\-D1\-C.3\-D3\-O.3\-D2 C.2\-D1\-C.3\-D4\-C.3\-D5 C.2\-D1\-C.
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309 \& 3\-D5\-C.3\-D6 C.2\-D1\-C.3\-D5\-O.3\-D4 C.2\-D1\-C.3\-D6\-C.3\-D7 C.2\-D1\-C.3\-D7...
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310 \&
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311 \& FingerprintsVector;TopologicalPharmacophoreAtomPairs:ArbitrarySize:Min
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312 \& Distance1:MaxDistance10;54;NumericalValues;IDsAndValuesString;H\-D1\-H H
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313 \& \-D1\-NI HBA\-D1\-NI HBD\-D1\-NI H\-D2\-H H\-D2\-HBA H\-D2\-HBD HBA\-D2\-HBA HBA\-D2\-
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314 \& HBD H\-D3\-H H\-D3\-HBA H\-D3\-HBD H\-D3\-NI HBA\-D3\-NI HBD\-D3\-NI H\-D4\-H H\-D4\-H
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315 \& BA H\-D4\-HBD HBA\-D4\-HBA HBA\-D4\-HBD HBD\-D4\-HBD H\-D5\-H H\-D5\-HBA H\-D5\-...;
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316 \& 18 1 2 1 22 12 8 1 2 18 6 3 1 1 1 22 13 6 5 7 2 28 9 5 1 1 1 36 16 10
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317 \& 3 4 1 37 10 8 1 35 10 9 3 3 1 28 7 7 4 18 16 12 5 1 2 1
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318 \&
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319 \& FingerprintsVector;TopologicalPharmacophoreAtomPairs:FixedSize:MinDist
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320 \& ance1:MaxDistance10;150;OrderedNumericalValues;ValuesString;18 0 0 1 0
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321 \& 0 0 2 0 0 1 0 0 0 0 22 12 8 0 0 1 2 0 0 0 0 0 0 0 0 18 6 3 1 0 0 0 1
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322 \& 0 0 1 0 0 0 0 22 13 6 0 0 5 7 0 0 2 0 0 0 0 0 28 9 5 1 0 0 0 1 0 0 1 0
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323 \& 0 0 0 36 16 10 0 0 3 4 0 0 1 0 0 0 0 0 37 10 8 0 0 0 0 1 0 0 0 0 0 0
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324 \& 0 35 10 9 0 0 3 3 0 0 1 0 0 0 0 0 28 7 7 4 0 0 0 0 0 0 0 0 0 0 0 18...
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325 \&
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326 \& FingerprintsVector;TopologicalPharmacophoreAtomTriplets:ArbitrarySize:
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327 \& MinDistance1:MaxDistance10;696;NumericalValues;IDsAndValuesString;Ar1\-
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328 \& Ar1\-Ar1 Ar1\-Ar1\-H1 Ar1\-Ar1\-HBA1 Ar1\-Ar1\-HBD1 Ar1\-H1\-H1 Ar1\-H1\-HBA1 Ar1
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329 \& \-H1\-HBD1 Ar1\-HBA1\-HBD1 H1\-H1\-H1 H1\-H1\-HBA1 H1\-H1\-HBD1 H1\-HBA1\-HBA1 H1\-
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330 \& HBA1\-HBD1 H1\-HBA1\-NI1 H1\-HBD1\-NI1 HBA1\-HBA1\-NI1 HBA1\-HBD1\-NI1 Ar1\-...;
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331 \& 46 106 8 3 83 11 4 1 21 5 3 1 2 2 1 1 1 100 101 18 11 145 132 26 14 23
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332 \& 28 3 3 5 4 61 45 10 4 16 20 7 5 1 3 4 5 3 1 1 1 1 5 4 2 1 2 2 2 1 1 1
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333 \& 119 123 24 15 185 202 41 25 22 17 3 5 85 95 18 11 23 17 3 1 1 6 4 ...
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334 \&
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335 \& FingerprintsVector;TopologicalPharmacophoreAtomTriplets:FixedSize:MinD
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336 \& istance1:MaxDistance10;2692;OrderedNumericalValues;ValuesString;46 106
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337 \& 8 3 0 0 83 11 4 0 0 0 1 0 0 0 0 0 0 0 0 21 5 3 0 0 1 2 2 0 0 1 0 0 0
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338 \& 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 101 18 11 0 0 145 132 26
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339 \& 14 0 0 23 28 3 3 0 0 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 61 45 10 4 0
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340 \& 0 16 20 7 5 1 0 3 4 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 5 ...
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341 .Ve
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342 .SH "FUNCTIONS"
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343 .IX Header "FUNCTIONS"
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344 .IP "\fBAreFingerprintsStringValuesValid\fR" 4
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345 .IX Item "AreFingerprintsStringValuesValid"
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346 .Vb 1
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347 \& $Status = AreFingerprintsStringValuesValid($FPString);
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348 .Ve
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349 .Sp
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350 Returns 0 or 1 based on whether \fIFingerprintsString\fR contains valid values.
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351 .IP "\fBGetDefaultBitStringFormat\fR" 4
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352 .IX Item "GetDefaultBitStringFormat"
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353 .Vb 1
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354 \& $BitStringFormat = GetDefaultBitStringFormat();
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355 .Ve
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356 .Sp
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357 Returns default \fBBitStringFormat\fR for fingerprints bit-vector strings.
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358 .IP "\fBGetDefaultBitsOrder\fR" 4
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359 .IX Item "GetDefaultBitsOrder"
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360 .Vb 1
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361 \& $BitsOrder = GetDefaultBitsOrder();
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362 .Ve
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363 .Sp
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364 Returns default \fBBitsOrder\fR for fingerprints bit-vector fingerprints.
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365 .IP "\fBGetDefaultVectorStringFormat\fR" 4
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366 .IX Item "GetDefaultVectorStringFormat"
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367 .Vb 1
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368 \& $StringFormat = GetDefaultVectorStringFormat();
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369 .Ve
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370 .Sp
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371 Returns default \fBVectorStringFormat\fR for fingerprints vector strings.
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372 .IP "\fBGetFingeprintsStringDelimiter\fR" 4
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373 .IX Item "GetFingeprintsStringDelimiter"
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374 .Vb 1
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375 \& $Delimiter = GetFingeprintsStringDelimiter();
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376 .Ve
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377 .Sp
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378 Returns string \fBDelimiter\fR used to generate fingerprints bit-vector and vector strings.
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379 .IP "\fBGenerateFingerprintsBitVectorString\fR" 4
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380 .IX Item "GenerateFingerprintsBitVectorString"
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381 .Vb 2
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382 \& $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
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383 \& [$BitStringFormat, $BitsOrder]);
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384 .Ve
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385 .Sp
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386 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR and
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387 optionally specified \fIBitStringFormat\fR and \fIBitsOrder\fR values.
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388 .Sp
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389 Possible \fIBitStringFormat\fR values: \fIBinaryString, Binary, Bin, HexadecimalString,
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390 Hexadecimal, or Hex\fR. Default \fIBitStringFormat\fR value: \fIBinaryString\fR.
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391 .Sp
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392 Possible \fIBitsOrder\fR values: \fIAscending or Descending\fR. Default \fIBitsOrder\fR value:
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393 \&\fIAscending\fR.
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394 .IP "\fBGenerateFingerprintsVectorString\fR" 4
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395 .IX Item "GenerateFingerprintsVectorString"
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396 .Vb 2
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397 \& $FPString = GenerateFingerprintsVectorString($FPVectorObject,
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398 \& [$VectorStringFormat]);
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399 .Ve
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400 .Sp
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401 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsVectorObject\fR and optionally
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402 specified \fIVectorStringFormat\fR.
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403 .Sp
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404 Possible \fIVectorStringFormat\fR values: \fIIDsAndValuesString, IDsAndValues,
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405 IDsAndValuesPairsString, IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs,
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406 ValuesAndIDsPairsString, ValuesAndIDsPairs, ValuesString, Values\fR.
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407 .Sp
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408 Default \fIVectorStringFormat\fR value: for \fINumericalValues\fR \fIFPVectorType\fR \-
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409 \&\fIIDsAndValuesString\fR; for all other \fIFPVectorType\fRs \- \fIValuesString\fR.
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410 .IP "\fBGenerateFingerprintsString\fR" 4
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411 .IX Item "GenerateFingerprintsString"
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412 .Vb 2
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413 \& $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
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414 \& [$BitStringFormat, $BitsOrder]);
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415 \&
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416 \& $FPString = GenerateFingerprintsVectorString($FPVectorObject,
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417 \& [$VectorStringFormat]);
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418 .Ve
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419 .Sp
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420 Returns a \fBFingerprintsString\fR generated using \fIFingerprintsBitVectorObject\fR or
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421 \&\fIFingerprintsVectorObject\fR and optionally specified parameters.
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422 .IP "\fBGetFingerprintsStringTypeAndDescription\fR" 4
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423 .IX Item "GetFingerprintsStringTypeAndDescription"
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424 .Vb 2
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425 \& ($FPType, $FPDescription) = GetFingerprintsStringTypeAndDescription(
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426 \& $FPString);
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427 .Ve
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428 .Sp
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429 Returns \fBFingerprintsStringType\fR and \fIFingerprintsStringDescription\fR strings for
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430 \&\fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
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431 \&\fBFingerprintsVectorObject\fR.
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432 .IP "\fBGetFingerprintsStringValues\fR" 4
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433 .IX Item "GetFingerprintsStringValues"
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434 .Vb 1
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435 \& @FPStringValues = GetFingerprintsStringValues($FPString);
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436 .Ve
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437 .Sp
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438 Parses \fBFingerprintsString\fR corresponding to \fBFingerprintsBitVectorObject\fR or
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439 \&\fBFingerprintsVectorObject\fR and returns its individual component values as an
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440 array.
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441 .IP "\fBParseFingerprintsBitVectorString\fR" 4
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442 .IX Item "ParseFingerprintsBitVectorString"
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443 .Vb 2
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444 \& $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
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445 \& [$ValidateValues]);
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446 .Ve
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447 .Sp
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448 Returns \fBFingerprintsBitVectorObject\fR generated by parsing \fIFingerprintsBitVectorString\fR
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449 with optional validation of its component values.
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450 .IP "\fBParseFingerprintsString\fR" 4
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451 .IX Item "ParseFingerprintsString"
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452 .Vb 2
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453 \& $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
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454 \& [$ValidateValues]);
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455 \&
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456 \& $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
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457 \& [$ValidateValues]);
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458 .Ve
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459 .Sp
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460 Returns \fBFingerprintsBitVectorObject\fR or \fI\f(BIFingerprintsVectorObject\fI\fR generated
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461 by parsing \fIFingerprintsBitVectorString\fR or \fIFingerprintsVectorString\fR with
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462 optional validation of its component values.
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463 .IP "\fBParseFingerprintsVectorString\fR" 4
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464 .IX Item "ParseFingerprintsVectorString"
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465 .Vb 2
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466 \& $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
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467 \& [$ValidateValues]);
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468 .Ve
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469 .Sp
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470 Returns \fBFingerprintsVectorObject\fR generated by parsing \fIFingerprintsVectorString\fR
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471 with optional validation of its component values.
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472 .SH "AUTHOR"
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473 .IX Header "AUTHOR"
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474 Manish Sud <msud@san.rr.com>
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475 .SH "SEE ALSO"
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476 .IX Header "SEE ALSO"
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477 BitVector.pm, FingerprintsBitVector.pm, FingerprintsVector.pm, Vector.pm
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478 .SH "COPYRIGHT"
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479 .IX Header "COPYRIGHT"
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480 Copyright (C) 2015 Manish Sud. All rights reserved.
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481 .PP
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482 This file is part of MayaChemTools.
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483 .PP
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484 MayaChemTools is free software; you can redistribute it and/or modify it under
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485 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
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486 Software Foundation; either version 3 of the License, or (at your option)
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487 any later version.
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