CDPL.ConfGen.ForceFieldType Class Reference

Provides constants that are used to specify the forcefield that shall be used for 3D coordinates refinement and energy calculations. More...

Inheritance diagram for CDPL.ConfGen.ForceFieldType:

Static Public Attributes
int	MMFF94 = 0
int	MMFF94_NO_ESTAT = 1
int	MMFF94S = 2
int	MMFF94S_NO_ESTAT = 3
int	MMFF94S_XOOP = 4
int	MMFF94S_XOOP_NO_ESTAT = 5
int	MMFF94S_RTOR = 6
int	MMFF94S_RTOR_NO_ESTAT = 7
int	MMFF94S_RTOR_XOOP = 8
int	MMFF94S_RTOR_XOOP_NO_ESTAT = 9

Detailed Description

Provides constants that are used to specify the forcefield that shall be used for 3D coordinates refinement and energy calculations.