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1 <html>
2 <head>
3 <title>MayaChemTools:Documentation:Fingerprints::FingerprintsStringUtil.pm</title>
4 <meta http-equiv="content-type" content="text/html;charset=utf-8">
5 <link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css">
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10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a>
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14 <table width="100%" border=0 cellpadding=0 cellspacing=2>
15 <tr align="left" valign="top"><td width="33%" align="left"><a href="./FingerprintsFileUtil.html" title="FingerprintsFileUtil.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./FingerprintsVector.html" title="FingerprintsVector.html">Next</a></td><td width="34%" align="middle"><strong>Fingerprints::FingerprintsStringUtil.pm</strong></td><td width="33%" align="right"><a href="././code/FingerprintsStringUtil.html" title="View source code">Code</a>&nbsp;|&nbsp;<a href="./../pdf/FingerprintsStringUtil.pdf" title="PDF US Letter Size">PDF</a>&nbsp;|&nbsp;<a href="./../pdfgreen/FingerprintsStringUtil.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a>&nbsp;|&nbsp;<a href="./../pdfa4/FingerprintsStringUtil.pdf" title="PDF A4 Size">PDFA4</a>&nbsp;|&nbsp;<a href="./../pdfa4green/FingerprintsStringUtil.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
16 </table>
17 </div>
18 <p>
19 </p>
20 <h2>NAME</h2>
21 <p>FingerprintsStringUtil</p>
22 <p>
23 </p>
24 <h2>SYNOPSIS</h2>
25 <p>use Fingerprints::FingerprintsStringUtil;</p>
26 <p>use Fingerprints::FingerprintsStringUtil qw(:all);</p>
27 <p>
28 </p>
29 <h2>DESCRIPTION</h2>
30 <p><strong>FingerprintsStringUtil</strong> module provides the following functions:</p>
31 <p> <a href="#arefingerprintsstringvaluesvalid">AreFingerprintsStringValuesValid</a>, <a href="#generatefingerprintsbitvectorstring">GenerateFingerprintsBitVectorString</a>
32 , <a href="#generatefingerprintsstring">GenerateFingerprintsString</a>, <a href="#generatefingerprintsvectorstring">GenerateFingerprintsVectorString</a>
33 , <a href="#getdefaultbitstringformat">GetDefaultBitStringFormat</a>, <a href="#getdefaultbitsorder">GetDefaultBitsOrder</a>, <a href="#getdefaultvectorstringformat">GetDefaultVectorStringFormat</a>
34 , <a href="#getfingeprintsstringdelimiter">GetFingeprintsStringDelimiter</a>, <a href="#getfingerprintsstringtypeanddescription">GetFingerprintsStringTypeAndDescription</a>
35 , <a href="#getfingerprintsstringvalues">GetFingerprintsStringValues</a>, <a href="#parsefingerprintsbitvectorstring">ParseFingerprintsBitVectorString</a>
36 , <a href="#parsefingerprintsstring">ParseFingerprintsString</a>, <a href="#parsefingerprintsvectorstring">ParseFingerprintsVectorString</a>
37 </p><p>The current release of MayaChemTools supports the following types of fingerprint
38 bit-vector and vector strings:</p>
39 <div class="OptionsBox">
40 FingerprintsVector;AtomNeighborhoods:AtomicInvariantsAtomTypes:MinRadi
41 <br/> us0:MaxRadius2;41;AlphaNumericalValues;ValuesString;NR0-C.X1.BO1.H3-AT
42 <br/> C1:NR1-C.X3.BO3.H1-ATC1:NR2-C.X1.BO1.H3-ATC1:NR2-C.X3.BO4-ATC1 NR0-C.X
43 <br/> 1.BO1.H3-ATC1:NR1-C.X3.BO3.H1-ATC1:NR2-C.X1.BO1.H3-ATC1:NR2-C.X3.BO4-A
44 <br/> TC1 NR0-C.X2.BO2.H2-ATC1:NR1-C.X2.BO2.H2-ATC1:NR1-C.X3.BO3.H1-ATC1:NR2
45 <br/> -C.X2.BO2.H2-ATC1:NR2-N.X3.BO3-ATC1:NR2-O.X1.BO1.H1-ATC1 NR0-C.X2.B...</div>
46 <div class="OptionsBox">
47 FingerprintsVector;AtomTypesCount:AtomicInvariantsAtomTypes:ArbitraryS
48 <br/> ize;10;NumericalValues;IDsAndValuesString;C.X1.BO1.H3 C.X2.BO2.H2 C.X2
49 <br/> .BO3.H1 C.X3.BO3.H1 C.X3.BO4 F.X1.BO1 N.X2.BO2.H1 N.X3.BO3 O.X1.BO1.H1
50 <br/> O.X1.BO2;2 4 14 3 10 1 1 1 3 2</div>
51 <div class="OptionsBox">
52 FingerprintsVector;AtomTypesCount:SLogPAtomTypes:ArbitrarySize;16;Nume
53 <br/> ricalValues;IDsAndValuesString;C1 C10 C11 C14 C18 C20 C21 C22 C5 CS F
54 <br/> N11 N4 O10 O2 O9;5 1 1 1 14 4 2 1 2 2 1 1 1 1 3 1</div>
55 <div class="OptionsBox">
56 FingerprintsVector;AtomTypesCount:SLogPAtomTypes:FixedSize;67;OrderedN
57 <br/> umericalValues;IDsAndValuesString;C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C
58 <br/> 12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 CS N1 N
59 <br/> 2 N3 N4 N5 N6 N7 N8 N9 N10 N11 N12 N13 N14 NS O1 O2 O3 O4 O5 O6 O7 O8
60 <br/> 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
61 <br/> 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...</div>
62 <div class="OptionsBox">
63 FingerprintsVector;EStateIndicies:ArbitrarySize;11;NumericalValues;IDs
64 <br/> AndValuesString;SaaCH SaasC SaasN SdO SdssC SsCH3 SsF SsOH SssCH2 SssN
65 <br/> H SsssCH;24.778 4.387 1.993 25.023 -1.435 3.975 14.006 29.759 -0.073 3
66 <br/> .024 -2.270</div>
67 <div class="OptionsBox">
68 FingerprintsVector;EStateIndicies:FixedSize;87;OrderedNumericalValues;
69 <br/> ValuesString;0 0 0 0 0 0 0 3.975 0 -0.073 0 0 24.778 -2.270 0 0 -1.435
70 <br/> 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
71 <br/> 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
72 <br/> 0 0 0 0 0 0 0 0 0 0 0 0 0 0</div>
73 <div class="OptionsBox">
74 FingerprintsVector;ExtendedConnectivity:AtomicInvariantsAtomTypes:Radi
75 <br/> us2;60;AlphaNumericalValues;ValuesString;73555770 333564680 352413391
76 <br/> 666191900 1001270906 1371674323 1481469939 1977749791 2006158649 21414
77 <br/> 08799 49532520 64643108 79385615 96062769 273726379 564565671 85514103
78 <br/> 5 906706094 988546669 1018231313 1032696425 1197507444 1331250018 1338
79 <br/> 532734 1455473691 1607485225 1609687129 1631614296 1670251330 17303...</div>
80 <div class="OptionsBox">
81 FingerprintsVector;ExtendedConnectivityCount:AtomicInvariantsAtomTypes
82 <br/> :Radius2;60;NumericalValues;IDsAndValuesString;73555770 333564680 3524
83 <br/> 13391 666191900 1001270906 1371674323 1481469939 1977749791 2006158649
84 <br/> 2141408799 49532520 64643108 79385615 96062769 273726379 564565671...;
85 <br/> 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
86 <br/> 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</div>
87 <div class="OptionsBox">
88 FingerprintsBitVector;ExtendedConnectivityBits:AtomicInvariantsAtomTyp
89 <br/> es:Radius2;1024;BinaryString;Ascending;0000000000000000000000000000100
90 <br/> 0000000001010000000110000011000000000000100000000000000000000000100001
91 <br/> 1000000110000000000000000000000000010011000000000000000000000000010000
92 <br/> 0000000000000000000000000010000000000000000001000000000000000000000000
93 <br/> 0000000000010000100001000000000000101000000000000000100000000000000...</div>
94 <div class="OptionsBox">
95 FingerprintsVector;ExtendedConnectivity:FunctionalClassAtomTypes:Radiu
96 <br/> s2;57;AlphaNumericalValues;ValuesString;24769214 508787397 850393286 8
97 <br/> 62102353 981185303 1231636850 1649386610 1941540674 263599683 32920567
98 <br/> 1 571109041 639579325 683993318 723853089 810600886 885767127 90326012
99 <br/> 7 958841485 981022393 1126908698 1152248391 1317567065 1421489994 1455
100 <br/> 632544 1557272891 1826413669 1983319256 2015750777 2029559552 20404...</div>
101 <div class="OptionsBox">
102 FingerprintsVector;ExtendedConnectivity:EStateAtomTypes:Radius2;62;Alp
103 <br/> haNumericalValues;ValuesString;25189973 528584866 662581668 671034184
104 <br/> 926543080 1347067490 1738510057 1759600920 2034425745 2097234755 21450
105 <br/> 44754 96779665 180364292 341712110 345278822 386540408 387387308 50430
106 <br/> 1706 617094135 771528807 957666640 997798220 1158349170 1291258082 134
107 <br/> 1138533 1395329837 1420277211 1479584608 1486476397 1487556246 1566...</div>
108 <div class="OptionsBox">
109 FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
110 <br/> 0000000000000000000000000000000001001000010010000000010010000000011100
111 <br/> 0100101010111100011011000100110110000011011110100110111111111111011111
112 <br/> 11111111111110111000</div>
113 <div class="OptionsBox">
114 FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
115 <br/> 1110011111100101111111000111101100110000000000000011100010000000000000
116 <br/> 0000000000000000000000000000000000000000000000101000000000000000000000
117 <br/> 0000000000000000000000000000000000000000000000000000000000000000000000
118 <br/> 0000000000000000000000000000000000000011000000000000000000000000000000
119 <br/> 0000000000000000000000000000000000000000</div>
120 <div class="OptionsBox">
121 FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
122 <br/> 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
123 <br/> 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
124 <br/> 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
125 <br/> 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
126 <br/> 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</div>
127 <div class="OptionsBox">
128 FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
129 <br/> 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
130 <br/> 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
131 <br/> 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
132 <br/> 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
133 <br/> 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 ...</div>
134 <div class="OptionsBox">
135 FingerprintsBitVector;PathLengthBits:AtomicInvariantsAtomTypes:MinLeng
136 <br/> th1:MaxLength8;1024;BinaryString;Ascending;001000010011010101011000110
137 <br/> 0100010101011000101001011100110001000010001001101000001001001001001000
138 <br/> 0010110100000111001001000001001010100100100000000011000000101001011100
139 <br/> 0010000001000101010100000100111100110111011011011000000010110111001101
140 <br/> 0101100011000000010001000011000010100011101100001000001000100000000...</div>
141 <div class="OptionsBox">
142 FingerprintsVector;PathLengthCount:AtomicInvariantsAtomTypes:MinLength
143 <br/> 1:MaxLength8;432;NumericalValues;IDsAndValuesPairsString;C.X1.BO1.H3 2
144 <br/> 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
145 <br/> 2.BO2.H1 1 N.X3.BO3 1 O.X1.BO1.H1 3 O.X1.BO2 2 C.X1.BO1.H3C.X3.BO3.H1
146 <br/> 2 C.X2.BO2.H2C.X2.BO2.H2 1 C.X2.BO2.H2C.X3.BO3.H1 4 C.X2.BO2.H2C.X3.BO
147 <br/> 4 1 C.X2.BO2.H2N.X3.BO3 1 C.X2.BO3.H1:C.X2.BO3.H1 10 C.X2.BO3.H1:C....</div>
148 <div class="OptionsBox">
149 FingerprintsVector;PathLengthCount:MMFF94AtomTypes:MinLength1:MaxLengt
150 <br/> h8;463;NumericalValues;IDsAndValuesPairsString;C5A 2 C5B 2 C=ON 1 CB 1
151 <br/> 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
152 <br/> 5 2 C5ACB 1 C5ACR 1 C5B:C5B 1 C5BC=ON 1 C5BCB 1 C=ON=O=CN 1 C=ONNC=O 1
153 <br/> CB:CB 18 CBF 1 CBNC=O 1 COO=O=CO 1 COOCR 1 COOOC=O 1 CRCR 7 CRN5 1 CR
154 <br/> OR 2 C5A:C5B:C5B 2 C5A:C5BC=ON 1 C5A:C5BCB 1 C5A:N5:C5A 1 C5A:N5CR ...</div>
155 <div class="OptionsBox">
156 FingerprintsVector;TopologicalAtomPairs:AtomicInvariantsAtomTypes:MinD
157 <br/> istance1:MaxDistance10;223;NumericalValues;IDsAndValuesString;C.X1.BO1
158 <br/> .H3-D1-C.X3.BO3.H1 C.X2.BO2.H2-D1-C.X2.BO2.H2 C.X2.BO2.H2-D1-C.X3.BO3.
159 <br/> H1 C.X2.BO2.H2-D1-C.X3.BO4 C.X2.BO2.H2-D1-N.X3.BO3 C.X2.BO3.H1-D1-...;
160 <br/> 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
161 <br/> 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...</div>
162 <div class="OptionsBox">
163 FingerprintsVector;TopologicalAtomPairs:FunctionalClassAtomTypes:MinDi
164 <br/> stance1:MaxDistance10;144;NumericalValues;IDsAndValuesString;Ar-D1-Ar
165 <br/> Ar-D1-Ar.HBA Ar-D1-HBD Ar-D1-Hal Ar-D1-None Ar.HBA-D1-None HBA-D1-NI H
166 <br/> BA-D1-None HBA.HBD-D1-NI HBA.HBD-D1-None HBD-D1-None NI-D1-None No...;
167 <br/> 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
168 <br/> 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 ...</div>
169 <div class="OptionsBox">
170 FingerprintsVector;TopologicalAtomTorsions:AtomicInvariantsAtomTypes;3
171 <br/> 3;NumericalValues;IDsAndValuesString;C.X1.BO1.H3-C.X3.BO3.H1-C.X3.BO4-
172 <br/> C.X3.BO4 C.X1.BO1.H3-C.X3.BO3.H1-C.X3.BO4-N.X3.BO3 C.X2.BO2.H2-C.X2.BO
173 <br/> 2.H2-C.X3.BO3.H1-C.X2.BO2.H2 C.X2.BO2.H2-C.X2.BO2.H2-C.X3.BO3.H1-O...;
174 <br/> 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</div>
175 <div class="OptionsBox">
176 FingerprintsVector;TopologicalAtomTorsions:EStateAtomTypes;36;Numerica
177 <br/> lValues;IDsAndValuesString;aaCH-aaCH-aaCH-aaCH aaCH-aaCH-aaCH-aasC aaC
178 <br/> H-aaCH-aasC-aaCH aaCH-aaCH-aasC-aasC aaCH-aaCH-aasC-sF aaCH-aaCH-aasC-
179 <br/> ssNH aaCH-aasC-aasC-aasC aaCH-aasC-aasC-aasN aaCH-aasC-ssNH-dssC a...;
180 <br/> 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</div>
181 <div class="OptionsBox">
182 FingerprintsVector;TopologicalAtomTriplets:AtomicInvariantsAtomTypes:M
183 <br/> inDistance1:MaxDistance10;3096;NumericalValues;IDsAndValuesString;C.X1
184 <br/> .BO1.H3-D1-C.X1.BO1.H3-D1-C.X3.BO3.H1-D2 C.X1.BO1.H3-D1-C.X2.BO2.H2-D1
185 <br/> 0-C.X3.BO4-D9 C.X1.BO1.H3-D1-C.X2.BO2.H2-D3-N.X3.BO3-D4 C.X1.BO1.H3-D1
186 <br/> -C.X2.BO2.H2-D4-C.X2.BO2.H2-D5 C.X1.BO1.H3-D1-C.X2.BO2.H2-D6-C.X3....;
187 <br/> 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
188 <br/> 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...</div>
189 <div class="OptionsBox">
190 FingerprintsVector;TopologicalAtomTriplets:SYBYLAtomTypes:MinDistance1
191 <br/> :MaxDistance10;2332;NumericalValues;IDsAndValuesString;C.2-D1-C.2-D9-C
192 <br/> .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-
193 <br/> 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
194 <br/> -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.
195 <br/> 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...</div>
196 <div class="OptionsBox">
197 FingerprintsVector;TopologicalPharmacophoreAtomPairs:ArbitrarySize:Min
198 <br/> Distance1:MaxDistance10;54;NumericalValues;IDsAndValuesString;H-D1-H H
199 <br/> -D1-NI HBA-D1-NI HBD-D1-NI H-D2-H H-D2-HBA H-D2-HBD HBA-D2-HBA HBA-D2-
200 <br/> 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
201 <br/> BA H-D4-HBD HBA-D4-HBA HBA-D4-HBD HBD-D4-HBD H-D5-H H-D5-HBA H-D5-...;
202 <br/> 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
203 <br/> 3 4 1 37 10 8 1 35 10 9 3 3 1 28 7 7 4 18 16 12 5 1 2 1</div>
204 <div class="OptionsBox">
205 FingerprintsVector;TopologicalPharmacophoreAtomPairs:FixedSize:MinDist
206 <br/> ance1:MaxDistance10;150;OrderedNumericalValues;ValuesString;18 0 0 1 0
207 <br/> 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
208 <br/> 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
209 <br/> 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
210 <br/> 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...</div>
211 <div class="OptionsBox">
212 FingerprintsVector;TopologicalPharmacophoreAtomTriplets:ArbitrarySize:
213 <br/> MinDistance1:MaxDistance10;696;NumericalValues;IDsAndValuesString;Ar1-
214 <br/> Ar1-Ar1 Ar1-Ar1-H1 Ar1-Ar1-HBA1 Ar1-Ar1-HBD1 Ar1-H1-H1 Ar1-H1-HBA1 Ar1
215 <br/> -H1-HBD1 Ar1-HBA1-HBD1 H1-H1-H1 H1-H1-HBA1 H1-H1-HBD1 H1-HBA1-HBA1 H1-
216 <br/> HBA1-HBD1 H1-HBA1-NI1 H1-HBD1-NI1 HBA1-HBA1-NI1 HBA1-HBD1-NI1 Ar1-...;
217 <br/> 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
218 <br/> 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
219 <br/> 119 123 24 15 185 202 41 25 22 17 3 5 85 95 18 11 23 17 3 1 1 6 4 ...</div>
220 <div class="OptionsBox">
221 FingerprintsVector;TopologicalPharmacophoreAtomTriplets:FixedSize:MinD
222 <br/> istance1:MaxDistance10;2692;OrderedNumericalValues;ValuesString;46 106
223 <br/> 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
224 <br/> 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
225 <br/> 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
226 <br/> 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 ...</div>
227 <p>
228 </p>
229 <h2>FUNCTIONS</h2>
230 <dl>
231 <dt><strong><a name="arefingerprintsstringvaluesvalid" class="item"><strong>AreFingerprintsStringValuesValid</strong></a></strong></dt>
232 <dd>
233 <div class="OptionsBox">
234 $Status = AreFingerprintsStringValuesValid($FPString);</div>
235 <p>Returns 0 or 1 based on whether <em>FingerprintsString</em> contains valid values.</p>
236 </dd>
237 <dt><strong><a name="getdefaultbitstringformat" class="item"><strong>GetDefaultBitStringFormat</strong></a></strong></dt>
238 <dd>
239 <div class="OptionsBox">
240 $BitStringFormat = GetDefaultBitStringFormat();</div>
241 <p>Returns default <strong>BitStringFormat</strong> for fingerprints bit-vector strings.</p>
242 </dd>
243 <dt><strong><a name="getdefaultbitsorder" class="item"><strong>GetDefaultBitsOrder</strong></a></strong></dt>
244 <dd>
245 <div class="OptionsBox">
246 $BitsOrder = GetDefaultBitsOrder();</div>
247 <p>Returns default <strong>BitsOrder</strong> for fingerprints bit-vector fingerprints.</p>
248 </dd>
249 <dt><strong><a name="getdefaultvectorstringformat" class="item"><strong>GetDefaultVectorStringFormat</strong></a></strong></dt>
250 <dd>
251 <div class="OptionsBox">
252 $StringFormat = GetDefaultVectorStringFormat();</div>
253 <p>Returns default <strong>VectorStringFormat</strong> for fingerprints vector strings.</p>
254 </dd>
255 <dt><strong><a name="getfingeprintsstringdelimiter" class="item"><strong>GetFingeprintsStringDelimiter</strong></a></strong></dt>
256 <dd>
257 <div class="OptionsBox">
258 $Delimiter = GetFingeprintsStringDelimiter();</div>
259 <p>Returns string <strong>Delimiter</strong> used to generate fingerprints bit-vector and vector strings.</p>
260 </dd>
261 <dt><strong><a name="generatefingerprintsbitvectorstring" class="item"><strong>GenerateFingerprintsBitVectorString</strong></a></strong></dt>
262 <dd>
263 <div class="OptionsBox">
264 $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
265 [$BitStringFormat, $BitsOrder]);</div>
266 <p>Returns a <strong>FingerprintsString</strong> generated using <em>FingerprintsBitVectorObject</em> and
267 optionally specified <em>BitStringFormat</em> and <em>BitsOrder</em> values.</p>
268 <p>Possible <em>BitStringFormat</em> values: <em>BinaryString, Binary, Bin, HexadecimalString,
269 Hexadecimal, or Hex</em>. Default <em>BitStringFormat</em> value: <em>BinaryString</em>.</p>
270 <p>Possible <em>BitsOrder</em> values: <em>Ascending or Descending</em>. Default <em>BitsOrder</em> value:
271 <em>Ascending</em>.</p>
272 </dd>
273 <dt><strong><a name="generatefingerprintsvectorstring" class="item"><strong>GenerateFingerprintsVectorString</strong></a></strong></dt>
274 <dd>
275 <div class="OptionsBox">
276 $FPString = GenerateFingerprintsVectorString($FPVectorObject,
277 [$VectorStringFormat]);</div>
278 <p>Returns a <strong>FingerprintsString</strong> generated using <em>FingerprintsVectorObject</em> and optionally
279 specified <em>VectorStringFormat</em>.</p>
280 <p>Possible <em>VectorStringFormat</em> values: <em>IDsAndValuesString, IDsAndValues,
281 IDsAndValuesPairsString, IDsAndValuesPairs, ValuesAndIDsString, ValuesAndIDs,
282 ValuesAndIDsPairsString, ValuesAndIDsPairs, ValuesString, Values</em>.</p>
283 <p>Default <em>VectorStringFormat</em> value: for <em>NumericalValues</em> <em>FPVectorType</em> -
284 <em>IDsAndValuesString</em>; for all other <em>FPVectorType</em>s - <em>ValuesString</em>.</p>
285 </dd>
286 <dt><strong><a name="generatefingerprintsstring" class="item"><strong>GenerateFingerprintsString</strong></a></strong></dt>
287 <dd>
288 <div class="OptionsBox">
289 $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
290 [$BitStringFormat, $BitsOrder]);</div>
291 <div class="OptionsBox">
292 $FPString = GenerateFingerprintsVectorString($FPVectorObject,
293 [$VectorStringFormat]);</div>
294 <p>Returns a <strong>FingerprintsString</strong> generated using <em>FingerprintsBitVectorObject</em> or
295 <em>FingerprintsVectorObject</em> and optionally specified parameters.</p>
296 </dd>
297 <dt><strong><a name="getfingerprintsstringtypeanddescription" class="item"><strong>GetFingerprintsStringTypeAndDescription</strong></a></strong></dt>
298 <dd>
299 <div class="OptionsBox">
300 ($FPType, $FPDescription) = GetFingerprintsStringTypeAndDescription(
301 $FPString);</div>
302 <p>Returns <strong>FingerprintsStringType</strong> and <em>FingerprintsStringDescription</em> strings for
303 <strong>FingerprintsString</strong> corresponding to <strong>FingerprintsBitVectorObject</strong> or
304 <strong>FingerprintsVectorObject</strong>.</p>
305 </dd>
306 <dt><strong><a name="getfingerprintsstringvalues" class="item"><strong>GetFingerprintsStringValues</strong></a></strong></dt>
307 <dd>
308 <div class="OptionsBox">
309 @FPStringValues = GetFingerprintsStringValues($FPString);</div>
310 <p>Parses <strong>FingerprintsString</strong> corresponding to <strong>FingerprintsBitVectorObject</strong> or
311 <strong>FingerprintsVectorObject</strong> and returns its individual component values as an
312 array.</p>
313 </dd>
314 <dt><strong><a name="parsefingerprintsbitvectorstring" class="item"><strong>ParseFingerprintsBitVectorString</strong></a></strong></dt>
315 <dd>
316 <div class="OptionsBox">
317 $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
318 [$ValidateValues]);</div>
319 <p>Returns <strong>FingerprintsBitVectorObject</strong> generated by parsing <em>FingerprintsBitVectorString</em>
320 with optional validation of its component values.</p>
321 </dd>
322 <dt><strong><a name="parsefingerprintsstring" class="item"><strong>ParseFingerprintsString</strong></a></strong></dt>
323 <dd>
324 <div class="OptionsBox">
325 $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
326 [$ValidateValues]);</div>
327 <div class="OptionsBox">
328 $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
329 [$ValidateValues]);</div>
330 <p>Returns <strong>FingerprintsBitVectorObject</strong> or <em><strong>FingerprintsVectorObject</strong></em> generated
331 by parsing <em>FingerprintsBitVectorString</em> or <em>FingerprintsVectorString</em> with
332 optional validation of its component values.</p>
333 </dd>
334 <dt><strong><a name="parsefingerprintsvectorstring" class="item"><strong>ParseFingerprintsVectorString</strong></a></strong></dt>
335 <dd>
336 <div class="OptionsBox">
337 $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
338 [$ValidateValues]);</div>
339 <p>Returns <strong>FingerprintsVectorObject</strong> generated by parsing <em>FingerprintsVectorString</em>
340 with optional validation of its component values.</p>
341 </dd>
342 </dl>
343 <p>
344 </p>
345 <h2>AUTHOR</h2>
346 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
347 <p>
348 </p>
349 <h2>SEE ALSO</h2>
350 <p><a href="./BitVector.html">BitVector.pm</a>,&nbsp<a href="./FingerprintsBitVector.html">FingerprintsBitVector.pm</a>,&nbsp<a href="./FingerprintsVector.html">FingerprintsVector.pm</a>,&nbsp<a href="./Vector.html">Vector.pm</a>
351 </p>
352 <p>
353 </p>
354 <h2>COPYRIGHT</h2>
355 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
356 <p>This file is part of MayaChemTools.</p>
357 <p>MayaChemTools is free software; you can redistribute it and/or modify it under
358 the terms of the GNU Lesser General Public License as published by the Free
359 Software Foundation; either version 3 of the License, or (at your option)
360 any later version.</p>
361 <p>&nbsp</p><p>&nbsp</p><div class="DocNav">
362 <table width="100%" border=0 cellpadding=0 cellspacing=2>
363 <tr align="left" valign="top"><td width="33%" align="left"><a href="./FingerprintsFileUtil.html" title="FingerprintsFileUtil.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./FingerprintsVector.html" title="FingerprintsVector.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>Fingerprints::FingerprintsStringUtil.pm</strong></td></tr>
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