CDPL.Chem.MOL2ChargeType Class Reference

Provides constants for the specification of the atom charge type in Tripos MOL2 files. More...

Inheritance diagram for CDPL.Chem.MOL2ChargeType:

Static Public Attributes
int	UNKNOWN = 0
int	NO_CHARGES = 1
int	DEL_RE = 2
int	GASTEIGER = 3
int	GAST_HUCK = 4
int	HUCKEL = 5
int	PULLMAN = 6
int	GAUSS80 = 7
int	AMPAC = 8
int	MULLIKEN = 9
int	DICT = 10
int	MMFF94 = 11
int	USER = 12

Detailed Description

Provides constants for the specification of the atom charge type in Tripos MOL2 files.