Chemical Data Processing Library Python API - Version 1.1.1
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Static Public Attributes | |
int | PI_COUNT = 0 |
PI_COUNT. | |
int | NI_COUNT = 1 |
NI_COUNT. | |
int | AR_COUNT = 2 |
AR_COUNT. | |
int | H_COUNT = 3 |
H_COUNT. | |
int | HBD_COUNT = 4 |
HBD_COUNT. | |
int | HBA_COUNT = 5 |
HBA_COUNT. | |
int | XBD_COUNT = 6 |
XBD_COUNT. | |
int | XBA_COUNT = 7 |
XBA_COUNT. | |
int | HBD_N3_COUNT = 8 |
HBD_N3_COUNT. | |
int | HBD_N2_COUNT = 9 |
HBD_N2_COUNT. | |
int | HBD_Nar_COUNT = 10 |
HBD_Nar_COUNT. | |
int | HBD_Nam_COUNT = 11 |
HBD_Nam_COUNT. | |
int | HBD_Npl3_COUNT = 12 |
HBD_Npl3_COUNT. | |
int | HBD_N4_COUNT = 13 |
HBD_N4_COUNT. | |
int | HBD_O3_COUNT = 14 |
HBD_O3_COUNT. | |
int | HBD_S3_COUNT = 15 |
HBD_S3_COUNT. | |
int | HBA_N3_COUNT = 16 |
HBA_N3_COUNT. | |
int | HBA_N2_COUNT = 17 |
HBA_N2_COUNT. | |
int | HBA_N1_COUNT = 18 |
HBA_N1_COUNT. | |
int | HBA_Nar_COUNT = 19 |
HBA_Nar_COUNT. | |
int | HBA_Npl3_COUNT = 20 |
HBA_Npl3_COUNT. | |
int | HBA_O3_COUNT = 21 |
HBA_O3_COUNT. | |
int | HBA_O2_COUNT = 22 |
HBA_O2_COUNT. | |
int | HBA_Oco2_COUNT = 23 |
HBA_Oco2_COUNT. | |
int | HBA_S3_COUNT = 24 |
HBA_S3_COUNT. | |
int | HBA_S2_COUNT = 25 |
HBA_S2_COUNT. | |
int | HVY_ATOM_COUNT = 26 |
HVY_ATOM_COUNT. | |
int | ROT_BOND_COUNT = 27 |
ROT_BOND_COUNT. | |
int | TOTAL_HYD = 28 |
TOTAL_HYD. | |
int | LOGP = 29 |
LOGP. | |
int | TPSA = 30 |
TPSA. | |
int | ENV_HBA_N_OCC_SUM = 31 |
ENV_HBA_N_OCC_SUM. | |
int | ENV_HBA_N_OCC_MAX = 32 |
ENV_HBA_N_OCC_MAX. | |
int | ENV_HBA_O_OCC_SUM = 33 |
ENV_HBA_O_OCC_SUM. | |
int | ENV_HBA_O_OCC_MAX = 34 |
ENV_HBA_O_OCC_MAX. | |
int | ENV_HBA_S_OCC_SUM = 35 |
ENV_HBA_S_OCC_SUM. | |
int | ENV_HBA_S_OCC_MAX = 36 |
ENV_HBA_S_OCC_MAX. | |
int | ENV_HBD_N_OCC_SUM = 37 |
ENV_HBD_N_OCC_SUM. | |
int | ENV_HBD_N_OCC_MAX = 38 |
ENV_HBD_N_OCC_MAX. | |
int | ENV_HBD_O_OCC_SUM = 39 |
ENV_HBD_O_OCC_SUM. | |
int | ENV_HBD_O_OCC_MAX = 40 |
ENV_HBD_O_OCC_MAX. | |
int | ENV_HBD_S_OCC_SUM = 41 |
ENV_HBD_S_OCC_SUM. | |
int | ENV_HBD_S_OCC_MAX = 42 |
ENV_HBD_S_OCC_MAX. | |
int | PI_AR_SCORE_SUM = 43 |
PI_AR_SCORE_SUM. | |
int | PI_AR_SCORE_MAX = 44 |
PI_AR_SCORE_MAX. | |
int | AR_PI_SCORE_SUM = 45 |
AR_PI_SCORE_SUM. | |
int | AR_PI_SCORE_MAX = 46 |
AR_PI_SCORE_MAX. | |
int | H_H_SCORE_SUM = 47 |
H_H_SCORE_SUM. | |
int | H_H_SCORE_MAX = 48 |
H_H_SCORE_MAX. | |
int | AR_AR_SCORE_SUM = 49 |
AR_AR_SCORE_SUM. | |
int | AR_AR_SCORE_MAX = 50 |
AR_AR_SCORE_MAX. | |
int | HBD_HBA_N_SCORE_SUM = 51 |
HBD_HBA_N_SCORE_SUM. | |
int | HBD_HBA_N_SCORE_MAX = 52 |
HBD_HBA_N_SCORE_MAX. | |
int | HBD_HBA_O_SCORE_SUM = 53 |
HBD_HBA_O_SCORE_SUM. | |
int | HBD_HBA_O_SCORE_MAX = 54 |
HBD_HBA_O_SCORE_MAX. | |
int | HBD_HBA_S_SCORE_SUM = 55 |
HBD_HBA_S_SCORE_SUM. | |
int | HBD_HBA_S_SCORE_MAX = 56 |
HBD_HBA_S_SCORE_MAX. | |
int | HBD_N3_HBA_N_SCORE_SUM = 57 |
HBD_N3_HBA_N_SCORE_SUM. | |
int | HBD_N3_HBA_N_SCORE_MAX = 58 |
HBD_N3_HBA_N_SCORE_MAX. | |
int | HBD_N3_HBA_O_SCORE_SUM = 59 |
HBD_N3_HBA_O_SCORE_SUM. | |
int | HBD_N3_HBA_O_SCORE_MAX = 60 |
HBD_N3_HBA_O_SCORE_MAX. | |
int | HBD_N3_HBA_S_SCORE_SUM = 61 |
HBD_N3_HBA_S_SCORE_SUM. | |
int | HBD_N3_HBA_S_SCORE_MAX = 62 |
HBD_N3_HBA_S_SCORE_MAX. | |
int | HBD_N2_HBA_N_SCORE_SUM = 63 |
HBD_N2_HBA_N_SCORE_SUM. | |
int | HBD_N2_HBA_N_SCORE_MAX = 64 |
HBD_N2_HBA_N_SCORE_MAX. | |
int | HBD_N2_HBA_O_SCORE_SUM = 65 |
HBD_N2_HBA_O_SCORE_SUM. | |
int | HBD_N2_HBA_O_SCORE_MAX = 66 |
HBD_N2_HBA_O_SCORE_MAX. | |
int | HBD_N2_HBA_S_SCORE_SUM = 67 |
HBD_N2_HBA_S_SCORE_SUM. | |
int | HBD_N2_HBA_S_SCORE_MAX = 68 |
HBD_N2_HBA_S_SCORE_MAX. | |
int | HBD_Nar_HBA_N_SCORE_SUM = 69 |
HBD_Nar_HBA_N_SCORE_SUM. | |
int | HBD_Nar_HBA_N_SCORE_MAX = 70 |
HBD_Nar_HBA_N_SCORE_MAX. | |
int | HBD_Nar_HBA_O_SCORE_SUM = 71 |
HBD_Nar_HBA_O_SCORE_SUM. | |
int | HBD_Nar_HBA_O_SCORE_MAX = 72 |
HBD_Nar_HBA_O_SCORE_MAX. | |
int | HBD_Nar_HBA_S_SCORE_SUM = 73 |
HBD_Nar_HBA_S_SCORE_SUM. | |
int | HBD_Nar_HBA_S_SCORE_MAX = 74 |
HBD_Nar_HBA_S_SCORE_MAX. | |
int | HBD_Nam_HBA_N_SCORE_SUM = 75 |
HBD_Nam_HBA_N_SCORE_SUM. | |
int | HBD_Nam_HBA_N_SCORE_MAX = 76 |
HBD_Nam_HBA_N_SCORE_MAX. | |
int | HBD_Nam_HBA_O_SCORE_SUM = 77 |
HBD_Nam_HBA_O_SCORE_SUM. | |
int | HBD_Nam_HBA_O_SCORE_MAX = 78 |
HBD_Nam_HBA_O_SCORE_MAX. | |
int | HBD_Nam_HBA_S_SCORE_SUM = 79 |
HBD_Nam_HBA_S_SCORE_SUM. | |
int | HBD_Nam_HBA_S_SCORE_MAX = 80 |
HBD_Nam_HBA_S_SCORE_MAX. | |
int | HBD_Npl3_HBA_N_SCORE_SUM = 81 |
HBD_Npl3_HBA_N_SCORE_SUM. | |
int | HBD_Npl3_HBA_N_SCORE_MAX = 82 |
HBD_Npl3_HBA_N_SCORE_MAX. | |
int | HBD_Npl3_HBA_O_SCORE_SUM = 83 |
HBD_Npl3_HBA_O_SCORE_SUM. | |
int | HBD_Npl3_HBA_O_SCORE_MAX = 84 |
HBD_Npl3_HBA_O_SCORE_MAX. | |
int | HBD_Npl3_HBA_S_SCORE_SUM = 85 |
HBD_Npl3_HBA_S_SCORE_SUM. | |
int | HBD_Npl3_HBA_S_SCORE_MAX = 86 |
HBD_Npl3_HBA_S_SCORE_MAX. | |
int | HBD_N4_HBA_N_SCORE_SUM = 87 |
HBD_N4_HBA_N_SCORE_SUM. | |
int | HBD_N4_HBA_N_SCORE_MAX = 88 |
HBD_N4_HBA_N_SCORE_MAX. | |
int | HBD_N4_HBA_O_SCORE_SUM = 89 |
HBD_N4_HBA_O_SCORE_SUM. | |
int | HBD_N4_HBA_O_SCORE_MAX = 90 |
HBD_N4_HBA_O_SCORE_MAX. | |
int | HBD_N4_HBA_S_SCORE_SUM = 91 |
HBD_N4_HBA_S_SCORE_SUM. | |
int | HBD_N4_HBA_S_SCORE_MAX = 92 |
HBD_N4_HBA_S_SCORE_MAX. | |
int | HBD_O3_HBA_N_SCORE_SUM = 93 |
HBD_O3_HBA_N_SCORE_SUM. | |
int | HBD_O3_HBA_N_SCORE_MAX = 94 |
HBD_O3_HBA_N_SCORE_MAX. | |
int | HBD_O3_HBA_O_SCORE_SUM = 95 |
HBD_O3_HBA_O_SCORE_SUM. | |
int | HBD_O3_HBA_O_SCORE_MAX = 96 |
HBD_O3_HBA_O_SCORE_MAX. | |
int | HBD_O3_HBA_S_SCORE_SUM = 97 |
HBD_O3_HBA_S_SCORE_SUM. | |
int | HBD_O3_HBA_S_SCORE_MAX = 98 |
HBD_O3_HBA_S_SCORE_MAX. | |
int | HBD_S3_HBA_N_SCORE_SUM = 99 |
HBD_S3_HBA_N_SCORE_SUM. | |
int | HBD_S3_HBA_N_SCORE_MAX = 100 |
HBD_S3_HBA_N_SCORE_MAX. | |
int | HBD_S3_HBA_O_SCORE_SUM = 101 |
HBD_S3_HBA_O_SCORE_SUM. | |
int | HBD_S3_HBA_O_SCORE_MAX = 102 |
HBD_S3_HBA_O_SCORE_MAX. | |
int | HBD_S3_HBA_S_SCORE_SUM = 103 |
HBD_S3_HBA_S_SCORE_SUM. | |
int | HBD_S3_HBA_S_SCORE_MAX = 104 |
HBD_S3_HBA_S_SCORE_MAX. | |
int | HBA_HBD_N_SCORE_SUM = 105 |
HBA_HBD_N_SCORE_SUM. | |
int | HBA_HBD_N_SCORE_MAX = 106 |
HBA_HBD_N_SCORE_MAX. | |
int | HBA_HBD_O_SCORE_SUM = 107 |
HBA_HBD_O_SCORE_SUM. | |
int | HBA_HBD_O_SCORE_MAX = 108 |
HBA_HBD_O_SCORE_MAX. | |
int | HBA_HBD_S_SCORE_SUM = 109 |
HBA_HBD_S_SCORE_SUM. | |
int | HBA_HBD_S_SCORE_MAX = 110 |
HBA_HBD_S_SCORE_MAX. | |
int | HBA_N3_HBD_N_SCORE_SUM = 111 |
HBA_N3_HBD_N_SCORE_SUM. | |
int | HBA_N3_HBD_N_SCORE_MAX = 112 |
HBA_N3_HBD_N_SCORE_MAX. | |
int | HBA_N3_HBD_O_SCORE_SUM = 113 |
HBA_N3_HBD_O_SCORE_SUM. | |
int | HBA_N3_HBD_O_SCORE_MAX = 114 |
HBA_N3_HBD_O_SCORE_MAX. | |
int | HBA_N3_HBD_S_SCORE_SUM = 115 |
HBA_N3_HBD_S_SCORE_SUM. | |
int | HBA_N3_HBD_S_SCORE_MAX = 116 |
HBA_N3_HBD_S_SCORE_MAX. | |
int | HBA_N2_HBD_N_SCORE_SUM = 117 |
HBA_N2_HBD_N_SCORE_SUM. | |
int | HBA_N2_HBD_N_SCORE_MAX = 118 |
HBA_N2_HBD_N_SCORE_MAX. | |
int | HBA_N2_HBD_O_SCORE_SUM = 119 |
HBA_N2_HBD_O_SCORE_SUM. | |
int | HBA_N2_HBD_O_SCORE_MAX = 120 |
HBA_N2_HBD_O_SCORE_MAX. | |
int | HBA_N2_HBD_S_SCORE_SUM = 121 |
HBA_N2_HBD_S_SCORE_SUM. | |
int | HBA_N2_HBD_S_SCORE_MAX = 122 |
HBA_N2_HBD_S_SCORE_MAX. | |
int | HBA_N1_HBD_N_SCORE_SUM = 123 |
HBA_N1_HBD_N_SCORE_SUM. | |
int | HBA_N1_HBD_N_SCORE_MAX = 124 |
HBA_N1_HBD_N_SCORE_MAX. | |
int | HBA_N1_HBD_O_SCORE_SUM = 125 |
HBA_N1_HBD_O_SCORE_SUM. | |
int | HBA_N1_HBD_O_SCORE_MAX = 126 |
HBA_N1_HBD_O_SCORE_MAX. | |
int | HBA_N1_HBD_S_SCORE_SUM = 127 |
HBA_N1_HBD_S_SCORE_SUM. | |
int | HBA_N1_HBD_S_SCORE_MAX = 128 |
HBA_N1_HBD_S_SCORE_MAX. | |
int | HBA_Nar_HBD_N_SCORE_SUM = 129 |
HBA_Nar_HBD_N_SCORE_SUM. | |
int | HBA_Nar_HBD_N_SCORE_MAX = 130 |
HBA_Nar_HBD_N_SCORE_MAX. | |
int | HBA_Nar_HBD_O_SCORE_SUM = 131 |
HBA_Nar_HBD_O_SCORE_SUM. | |
int | HBA_Nar_HBD_O_SCORE_MAX = 132 |
HBA_Nar_HBD_O_SCORE_MAX. | |
int | HBA_Nar_HBD_S_SCORE_SUM = 133 |
HBA_Nar_HBD_S_SCORE_SUM. | |
int | HBA_Nar_HBD_S_SCORE_MAX = 134 |
HBA_Nar_HBD_S_SCORE_MAX. | |
int | HBA_Npl3_HBD_N_SCORE_SUM = 135 |
HBA_Npl3_HBD_N_SCORE_SUM. | |
int | HBA_Npl3_HBD_N_SCORE_MAX = 136 |
HBA_Npl3_HBD_N_SCORE_MAX. | |
int | HBA_Npl3_HBD_O_SCORE_SUM = 137 |
HBA_Npl3_HBD_O_SCORE_SUM. | |
int | HBA_Npl3_HBD_O_SCORE_MAX = 138 |
HBA_Npl3_HBD_O_SCORE_MAX. | |
int | HBA_Npl3_HBD_S_SCORE_SUM = 139 |
HBA_Npl3_HBD_S_SCORE_SUM. | |
int | HBA_Npl3_HBD_S_SCORE_MAX = 140 |
HBA_Npl3_HBD_S_SCORE_MAX. | |
int | HBA_O3_HBD_N_SCORE_SUM = 141 |
HBA_O3_HBD_N_SCORE_SUM. | |
int | HBA_O3_HBD_N_SCORE_MAX = 142 |
HBA_O3_HBD_N_SCORE_MAX. | |
int | HBA_O3_HBD_O_SCORE_SUM = 143 |
HBA_O3_HBD_O_SCORE_SUM. | |
int | HBA_O3_HBD_O_SCORE_MAX = 144 |
HBA_O3_HBD_O_SCORE_MAX. | |
int | HBA_O3_HBD_S_SCORE_SUM = 145 |
HBA_O3_HBD_S_SCORE_SUM. | |
int | HBA_O3_HBD_S_SCORE_MAX = 146 |
HBA_O3_HBD_S_SCORE_MAX. | |
int | HBA_O2_HBD_N_SCORE_SUM = 147 |
HBA_O2_HBD_N_SCORE_SUM. | |
int | HBA_O2_HBD_N_SCORE_MAX = 148 |
HBA_O2_HBD_N_SCORE_MAX. | |
int | HBA_O2_HBD_O_SCORE_SUM = 149 |
HBA_O2_HBD_O_SCORE_SUM. | |
int | HBA_O2_HBD_O_SCORE_MAX = 150 |
HBA_O2_HBD_O_SCORE_MAX. | |
int | HBA_O2_HBD_S_SCORE_SUM = 151 |
HBA_O2_HBD_S_SCORE_SUM. | |
int | HBA_O2_HBD_S_SCORE_MAX = 152 |
HBA_O2_HBD_S_SCORE_MAX. | |
int | HBA_Oco2_HBD_N_SCORE_SUM = 153 |
HBA_Oco2_HBD_N_SCORE_SUM. | |
int | HBA_Oco2_HBD_N_SCORE_MAX = 154 |
HBA_Oco2_HBD_N_SCORE_MAX. | |
int | HBA_Oco2_HBD_O_SCORE_SUM = 155 |
HBA_Oco2_HBD_O_SCORE_SUM. | |
int | HBA_Oco2_HBD_O_SCORE_MAX = 156 |
HBA_Oco2_HBD_O_SCORE_MAX. | |
int | HBA_Oco2_HBD_S_SCORE_SUM = 157 |
HBA_Oco2_HBD_S_SCORE_SUM. | |
int | HBA_Oco2_HBD_S_SCORE_MAX = 158 |
HBA_Oco2_HBD_S_SCORE_MAX. | |
int | HBA_S3_HBD_N_SCORE_SUM = 159 |
HBA_S3_HBD_N_SCORE_SUM. | |
int | HBA_S3_HBD_N_SCORE_MAX = 160 |
HBA_S3_HBD_N_SCORE_MAX. | |
int | HBA_S3_HBD_O_SCORE_SUM = 161 |
HBA_S3_HBD_O_SCORE_SUM. | |
int | HBA_S3_HBD_O_SCORE_MAX = 162 |
HBA_S3_HBD_O_SCORE_MAX. | |
int | HBA_S3_HBD_S_SCORE_SUM = 163 |
HBA_S3_HBD_S_SCORE_SUM. | |
int | HBA_S3_HBD_S_SCORE_MAX = 164 |
HBA_S3_HBD_S_SCORE_MAX. | |
int | HBA_S2_HBD_N_SCORE_SUM = 165 |
HBA_S2_HBD_N_SCORE_SUM. | |
int | HBA_S2_HBD_N_SCORE_MAX = 166 |
HBA_S2_HBD_N_SCORE_MAX. | |
int | HBA_S2_HBD_O_SCORE_SUM = 167 |
HBA_S2_HBD_O_SCORE_SUM. | |
int | HBA_S2_HBD_O_SCORE_MAX = 168 |
HBA_S2_HBD_O_SCORE_MAX. | |
int | HBA_S2_HBD_S_SCORE_SUM = 169 |
HBA_S2_HBD_S_SCORE_SUM. | |
int | HBA_S2_HBD_S_SCORE_MAX = 170 |
HBA_S2_HBD_S_SCORE_MAX. | |
int | XBD_XBA_SCORE_SUM = 171 |
XBD_XBA_SCORE_SUM. | |
int | XBD_XBA_SCORE_MAX = 172 |
XBD_XBA_SCORE_MAX. | |
int | ES_ENERGY = 173 |
ES_ENERGY. | |
int | ES_ENERGY_SQRD_DIST = 174 |
ES_ENERGY_SQRD_DIST. | |
int | VDW_ENERGY_ATT = 175 |
VDW_ENERGY_ATT. | |
int | VDW_ENERGY_REP = 176 |
VDW_ENERGY_REP. | |