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 | HVY_ATOM_COUNT = 8 |
HVY_ATOM_COUNT. | |
int | ROT_BOND_COUNT = 9 |
ROT_BOND_COUNT. | |
int | TOTAL_HYD = 10 |
TOTAL_HYD. | |
int | LOGP = 11 |
LOGP. | |
int | TPSA = 12 |
TPSA. | |
int | ENV_HBA_OCC_SUM = 13 |
ENV_HBA_OCC_SUM. | |
int | ENV_HBA_OCC_MAX = 14 |
ENV_HBA_OCC_MAX. | |
int | ENV_HBD_OCC_SUM = 15 |
ENV_HBD_OCC_SUM. | |
int | ENV_HBD_OCC_MAX = 16 |
ENV_HBD_OCC_MAX. | |
int | PI_AR_SCORE_SUM = 17 |
PI_AR_SCORE_SUM. | |
int | PI_AR_SCORE_MAX = 18 |
PI_AR_SCORE_MAX. | |
int | AR_PI_SCORE_SUM = 19 |
AR_PI_SCORE_SUM. | |
int | AR_PI_SCORE_MAX = 20 |
AR_PI_SCORE_MAX. | |
int | H_H_SCORE_SUM = 21 |
H_H_SCORE_SUM. | |
int | H_H_SCORE_MAX = 22 |
H_H_SCORE_MAX. | |
int | AR_AR_SCORE_SUM = 23 |
AR_AR_SCORE_SUM. | |
int | AR_AR_SCORE_MAX = 24 |
AR_AR_SCORE_MAX. | |
int | HBD_HBA_SCORE_SUM = 25 |
HBD_HBA_SCORE_SUM. | |
int | HBD_HBA_SCORE_MAX = 26 |
HBD_HBA_SCORE_MAX. | |
int | HBA_HBD_SCORE_SUM = 27 |
HBA_HBD_SCORE_SUM. | |
int | HBA_HBD_SCORE_MAX = 28 |
HBA_HBD_SCORE_MAX. | |
int | XBD_XBA_SCORE_SUM = 29 |
XBD_XBA_SCORE_SUM. | |
int | XBD_XBA_SCORE_MAX = 30 |
XBD_XBA_SCORE_MAX. | |
int | ES_ENERGY = 31 |
ES_ENERGY. | |
int | ES_ENERGY_SQRD_DIST = 32 |
ES_ENERGY_SQRD_DIST. | |
int | VDW_ENERGY_ATT = 33 |
VDW_ENERGY_ATT. | |
int | VDW_ENERGY_REP = 34 |
VDW_ENERGY_REP. | |