annotate docs/modules/txt/FingerprintsStringUtil.txt @ 0:4816e4a8ae95 draft default tip

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author deepakjadmin
date Wed, 20 Jan 2016 09:23:18 -0500
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1 NAME
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2 FingerprintsStringUtil
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3
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4 SYNOPSIS
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5 use Fingerprints::FingerprintsStringUtil;
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6
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7 use Fingerprints::FingerprintsStringUtil qw(:all);
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8
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9 DESCRIPTION
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10 FingerprintsStringUtil module provides the following functions:
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11
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12 AreFingerprintsStringValuesValid, GenerateFingerprintsBitVectorString,
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13 GenerateFingerprintsString, GenerateFingerprintsVectorString,
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14 GetDefaultBitStringFormat, GetDefaultBitsOrder,
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15 GetDefaultVectorStringFormat, GetFingeprintsStringDelimiter,
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16 GetFingerprintsStringTypeAndDescription, GetFingerprintsStringValues,
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17 ParseFingerprintsBitVectorString, ParseFingerprintsString,
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18 ParseFingerprintsVectorString
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19
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20 The current release of MayaChemTools supports the following types of
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21 fingerprint bit-vector and vector strings:
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22
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23 FingerprintsVector;AtomNeighborhoods:AtomicInvariantsAtomTypes:MinRadi
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24 us0:MaxRadius2;41;AlphaNumericalValues;ValuesString;NR0-C.X1.BO1.H3-AT
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25 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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26 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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27 TC1 NR0-C.X2.BO2.H2-ATC1:NR1-C.X2.BO2.H2-ATC1:NR1-C.X3.BO3.H1-ATC1:NR2
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28 -C.X2.BO2.H2-ATC1:NR2-N.X3.BO3-ATC1:NR2-O.X1.BO1.H1-ATC1 NR0-C.X2.B...
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29
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30 FingerprintsVector;AtomTypesCount:AtomicInvariantsAtomTypes:ArbitraryS
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31 ize;10;NumericalValues;IDsAndValuesString;C.X1.BO1.H3 C.X2.BO2.H2 C.X2
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32 .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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33 O.X1.BO2;2 4 14 3 10 1 1 1 3 2
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34
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35 FingerprintsVector;AtomTypesCount:SLogPAtomTypes:ArbitrarySize;16;Nume
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36 ricalValues;IDsAndValuesString;C1 C10 C11 C14 C18 C20 C21 C22 C5 CS F
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37 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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38
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39 FingerprintsVector;AtomTypesCount:SLogPAtomTypes:FixedSize;67;OrderedN
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40 umericalValues;IDsAndValuesString;C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C
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41 12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 CS N1 N
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42 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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43 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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44 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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45
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46 FingerprintsVector;EStateIndicies:ArbitrarySize;11;NumericalValues;IDs
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47 AndValuesString;SaaCH SaasC SaasN SdO SdssC SsCH3 SsF SsOH SssCH2 SssN
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48 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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49 .024 -2.270
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50
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51 FingerprintsVector;EStateIndicies:FixedSize;87;OrderedNumericalValues;
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52 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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53 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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54 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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56
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57 FingerprintsVector;ExtendedConnectivity:AtomicInvariantsAtomTypes:Radi
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58 us2;60;AlphaNumericalValues;ValuesString;73555770 333564680 352413391
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59 666191900 1001270906 1371674323 1481469939 1977749791 2006158649 21414
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60 08799 49532520 64643108 79385615 96062769 273726379 564565671 85514103
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61 5 906706094 988546669 1018231313 1032696425 1197507444 1331250018 1338
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62 532734 1455473691 1607485225 1609687129 1631614296 1670251330 17303...
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63
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64 FingerprintsVector;ExtendedConnectivityCount:AtomicInvariantsAtomTypes
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65 :Radius2;60;NumericalValues;IDsAndValuesString;73555770 333564680 3524
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66 13391 666191900 1001270906 1371674323 1481469939 1977749791 2006158649
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67 2141408799 49532520 64643108 79385615 96062769 273726379 564565671...;
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68 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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69 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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70
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71 FingerprintsBitVector;ExtendedConnectivityBits:AtomicInvariantsAtomTyp
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72 es:Radius2;1024;BinaryString;Ascending;0000000000000000000000000000100
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73 0000000001010000000110000011000000000000100000000000000000000000100001
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74 1000000110000000000000000000000000010011000000000000000000000000010000
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75 0000000000000000000000000010000000000000000001000000000000000000000000
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76 0000000000010000100001000000000000101000000000000000100000000000000...
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77
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78 FingerprintsVector;ExtendedConnectivity:FunctionalClassAtomTypes:Radiu
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79 s2;57;AlphaNumericalValues;ValuesString;24769214 508787397 850393286 8
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80 62102353 981185303 1231636850 1649386610 1941540674 263599683 32920567
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81 1 571109041 639579325 683993318 723853089 810600886 885767127 90326012
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82 7 958841485 981022393 1126908698 1152248391 1317567065 1421489994 1455
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83 632544 1557272891 1826413669 1983319256 2015750777 2029559552 20404...
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84
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85 FingerprintsVector;ExtendedConnectivity:EStateAtomTypes:Radius2;62;Alp
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86 haNumericalValues;ValuesString;25189973 528584866 662581668 671034184
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87 926543080 1347067490 1738510057 1759600920 2034425745 2097234755 21450
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88 44754 96779665 180364292 341712110 345278822 386540408 387387308 50430
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89 1706 617094135 771528807 957666640 997798220 1158349170 1291258082 134
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90 1138533 1395329837 1420277211 1479584608 1486476397 1487556246 1566...
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91
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92 FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
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93 0000000000000000000000000000000001001000010010000000010010000000011100
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94 0100101010111100011011000100110110000011011110100110111111111111011111
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95 11111111111110111000
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96
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97 FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
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98 1110011111100101111111000111101100110000000000000011100010000000000000
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99 0000000000000000000000000000000000000000000000101000000000000000000000
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100 0000000000000000000000000000000000000000000000000000000000000000000000
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101 0000000000000000000000000000000000000011000000000000000000000000000000
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102 0000000000000000000000000000000000000000
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103
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104 FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
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105 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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106 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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107 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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109 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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110
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111 FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
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112 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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113 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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114 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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115 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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116 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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117
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118 FingerprintsBitVector;PathLengthBits:AtomicInvariantsAtomTypes:MinLeng
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119 th1:MaxLength8;1024;BinaryString;Ascending;001000010011010101011000110
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120 0100010101011000101001011100110001000010001001101000001001001001001000
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121 0010110100000111001001000001001010100100100000000011000000101001011100
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122 0010000001000101010100000100111100110111011011011000000010110111001101
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123 0101100011000000010001000011000010100011101100001000001000100000000...
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124
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125 FingerprintsVector;PathLengthCount:AtomicInvariantsAtomTypes:MinLength
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126 1:MaxLength8;432;NumericalValues;IDsAndValuesPairsString;C.X1.BO1.H3 2
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127 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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128 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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129 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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130 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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131
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132 FingerprintsVector;PathLengthCount:MMFF94AtomTypes:MinLength1:MaxLengt
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133 h8;463;NumericalValues;IDsAndValuesPairsString;C5A 2 C5B 2 C=ON 1 CB 1
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134 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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135 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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136 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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137 OR 2 C5A:C5B:C5B 2 C5A:C5BC=ON 1 C5A:C5BCB 1 C5A:N5:C5A 1 C5A:N5CR ...
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138
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139 FingerprintsVector;TopologicalAtomPairs:AtomicInvariantsAtomTypes:MinD
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140 istance1:MaxDistance10;223;NumericalValues;IDsAndValuesString;C.X1.BO1
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141 .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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142 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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143 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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144 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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145
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146 FingerprintsVector;TopologicalAtomPairs:FunctionalClassAtomTypes:MinDi
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147 stance1:MaxDistance10;144;NumericalValues;IDsAndValuesString;Ar-D1-Ar
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148 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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149 BA-D1-None HBA.HBD-D1-NI HBA.HBD-D1-None HBD-D1-None NI-D1-None No...;
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150 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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151 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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152
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153 FingerprintsVector;TopologicalAtomTorsions:AtomicInvariantsAtomTypes;3
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deepakjadmin
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154 3;NumericalValues;IDsAndValuesString;C.X1.BO1.H3-C.X3.BO3.H1-C.X3.BO4-
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155 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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156 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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157 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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158
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deepakjadmin
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159 FingerprintsVector;TopologicalAtomTorsions:EStateAtomTypes;36;Numerica
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deepakjadmin
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160 lValues;IDsAndValuesString;aaCH-aaCH-aaCH-aaCH aaCH-aaCH-aaCH-aasC aaC
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deepakjadmin
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161 H-aaCH-aasC-aaCH aaCH-aaCH-aasC-aasC aaCH-aaCH-aasC-sF aaCH-aaCH-aasC-
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162 ssNH aaCH-aasC-aasC-aasC aaCH-aasC-aasC-aasN aaCH-aasC-ssNH-dssC a...;
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163 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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164
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165 FingerprintsVector;TopologicalAtomTriplets:AtomicInvariantsAtomTypes:M
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deepakjadmin
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166 inDistance1:MaxDistance10;3096;NumericalValues;IDsAndValuesString;C.X1
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167 .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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168 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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169 -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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170 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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171 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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172
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173 FingerprintsVector;TopologicalAtomTriplets:SYBYLAtomTypes:MinDistance1
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174 :MaxDistance10;2332;NumericalValues;IDsAndValuesString;C.2-D1-C.2-D9-C
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175 .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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176 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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177 -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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178 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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179
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180 FingerprintsVector;TopologicalPharmacophoreAtomPairs:ArbitrarySize:Min
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deepakjadmin
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181 Distance1:MaxDistance10;54;NumericalValues;IDsAndValuesString;H-D1-H H
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deepakjadmin
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182 -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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deepakjadmin
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183 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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184 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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185 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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186 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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187
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188 FingerprintsVector;TopologicalPharmacophoreAtomPairs:FixedSize:MinDist
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189 ance1:MaxDistance10;150;OrderedNumericalValues;ValuesString;18 0 0 1 0
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190 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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191 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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192 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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193 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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194
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195 FingerprintsVector;TopologicalPharmacophoreAtomTriplets:ArbitrarySize:
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deepakjadmin
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196 MinDistance1:MaxDistance10;696;NumericalValues;IDsAndValuesString;Ar1-
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197 Ar1-Ar1 Ar1-Ar1-H1 Ar1-Ar1-HBA1 Ar1-Ar1-HBD1 Ar1-H1-H1 Ar1-H1-HBA1 Ar1
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deepakjadmin
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198 -H1-HBD1 Ar1-HBA1-HBD1 H1-H1-H1 H1-H1-HBA1 H1-H1-HBD1 H1-HBA1-HBA1 H1-
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deepakjadmin
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199 HBA1-HBD1 H1-HBA1-NI1 H1-HBD1-NI1 HBA1-HBA1-NI1 HBA1-HBD1-NI1 Ar1-...;
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deepakjadmin
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200 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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deepakjadmin
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201 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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deepakjadmin
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202 119 123 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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203
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204 FingerprintsVector;TopologicalPharmacophoreAtomTriplets:FixedSize:MinD
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deepakjadmin
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205 istance1:MaxDistance10;2692;OrderedNumericalValues;ValuesString;46 106
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deepakjadmin
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206 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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deepakjadmin
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207 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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deepakjadmin
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208 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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deepakjadmin
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209 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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210
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deepakjadmin
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211 FUNCTIONS
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212 AreFingerprintsStringValuesValid
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213 $Status = AreFingerprintsStringValuesValid($FPString);
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214
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215 Returns 0 or 1 based on whether *FingerprintsString* contains valid
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216 values.
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217
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218 GetDefaultBitStringFormat
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219 $BitStringFormat = GetDefaultBitStringFormat();
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220
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221 Returns default BitStringFormat for fingerprints bit-vector strings.
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222
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223 GetDefaultBitsOrder
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224 $BitsOrder = GetDefaultBitsOrder();
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225
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226 Returns default BitsOrder for fingerprints bit-vector fingerprints.
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227
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228 GetDefaultVectorStringFormat
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229 $StringFormat = GetDefaultVectorStringFormat();
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230
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231 Returns default VectorStringFormat for fingerprints vector strings.
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232
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233 GetFingeprintsStringDelimiter
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234 $Delimiter = GetFingeprintsStringDelimiter();
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235
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236 Returns string Delimiter used to generate fingerprints bit-vector
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237 and vector strings.
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238
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239 GenerateFingerprintsBitVectorString
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240 $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
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deepakjadmin
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241 [$BitStringFormat, $BitsOrder]);
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242
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243 Returns a FingerprintsString generated using
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244 *FingerprintsBitVectorObject* and optionally specified
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245 *BitStringFormat* and *BitsOrder* values.
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246
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247 Possible *BitStringFormat* values: *BinaryString, Binary, Bin,
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248 HexadecimalString, Hexadecimal, or Hex*. Default *BitStringFormat*
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249 value: *BinaryString*.
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250
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251 Possible *BitsOrder* values: *Ascending or Descending*. Default
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252 *BitsOrder* value: *Ascending*.
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253
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254 GenerateFingerprintsVectorString
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255 $FPString = GenerateFingerprintsVectorString($FPVectorObject,
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deepakjadmin
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256 [$VectorStringFormat]);
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257
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258 Returns a FingerprintsString generated using
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deepakjadmin
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259 *FingerprintsVectorObject* and optionally specified
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deepakjadmin
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260 *VectorStringFormat*.
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261
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262 Possible *VectorStringFormat* values: *IDsAndValuesString,
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deepakjadmin
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263 IDsAndValues, IDsAndValuesPairsString, IDsAndValuesPairs,
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deepakjadmin
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264 ValuesAndIDsString, ValuesAndIDs, ValuesAndIDsPairsString,
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deepakjadmin
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265 ValuesAndIDsPairs, ValuesString, Values*.
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266
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267 Default *VectorStringFormat* value: for *NumericalValues*
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268 *FPVectorType* - *IDsAndValuesString*; for all other *FPVectorType*s
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269 - *ValuesString*.
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270
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271 GenerateFingerprintsString
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272 $FPString = GenerateFingerprintsBitVectorString($FPBitVectorObject,
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273 [$BitStringFormat, $BitsOrder]);
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274
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275 $FPString = GenerateFingerprintsVectorString($FPVectorObject,
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276 [$VectorStringFormat]);
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277
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278 Returns a FingerprintsString generated using
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279 *FingerprintsBitVectorObject* or *FingerprintsVectorObject* and
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deepakjadmin
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280 optionally specified parameters.
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281
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282 GetFingerprintsStringTypeAndDescription
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283 ($FPType, $FPDescription) = GetFingerprintsStringTypeAndDescription(
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284 $FPString);
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285
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286 Returns FingerprintsStringType and *FingerprintsStringDescription*
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deepakjadmin
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287 strings for FingerprintsString corresponding to
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deepakjadmin
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288 FingerprintsBitVectorObject or FingerprintsVectorObject.
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289
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290 GetFingerprintsStringValues
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291 @FPStringValues = GetFingerprintsStringValues($FPString);
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292
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293 Parses FingerprintsString corresponding to
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294 FingerprintsBitVectorObject or FingerprintsVectorObject and returns
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deepakjadmin
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295 its individual component values as an array.
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296
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297 ParseFingerprintsBitVectorString
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298 $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
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deepakjadmin
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299 [$ValidateValues]);
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deepakjadmin
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300
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301 Returns FingerprintsBitVectorObject generated by parsing
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302 *FingerprintsBitVectorString* with optional validation of its
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deepakjadmin
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303 component values.
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deepakjadmin
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304
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305 ParseFingerprintsString
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deepakjadmin
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306 $FPBitVectorObject = ParseFingerprintsBitVectorString($FPBitVectorString,
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deepakjadmin
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307 [$ValidateValues]);
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deepakjadmin
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308
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309 $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
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310 [$ValidateValues]);
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deepakjadmin
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311
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312 Returns FingerprintsBitVectorObject or *FingerprintsVectorObject*
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313 generated by parsing *FingerprintsBitVectorString* or
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314 *FingerprintsVectorString* with optional validation of its component
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315 values.
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316
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317 ParseFingerprintsVectorString
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deepakjadmin
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318 $FPVectorObject = ParseFingerprintsVectorString($FPVectorString,
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319 [$ValidateValues]);
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deepakjadmin
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320
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321 Returns FingerprintsVectorObject generated by parsing
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322 *FingerprintsVectorString* with optional validation of its component
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323 values.
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deepakjadmin
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324
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deepakjadmin
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325 AUTHOR
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deepakjadmin
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326 Manish Sud <msud@san.rr.com>
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deepakjadmin
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327
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328 SEE ALSO
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329 BitVector.pm, FingerprintsBitVector.pm, FingerprintsVector.pm, Vector.pm
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330
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331 COPYRIGHT
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332 Copyright (C) 2015 Manish Sud. All rights reserved.
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333
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334 This file is part of MayaChemTools.
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335
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336 MayaChemTools is free software; you can redistribute it and/or modify it
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337 under the terms of the GNU Lesser General Public License as published by
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338 the Free Software Foundation; either version 3 of the License, or (at
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339 your option) any later version.
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340