CDPL.ConfGen.ConformerSamplingMode Class Reference

Provides constants used to specify the employed conformer sampling method. More...

Inheritance diagram for CDPL.ConfGen.ConformerSamplingMode:

Static Public Attributes
int	AUTO = 0
	Selects the sampling strategy heuristically based on the input molecule (rotatable bond count, ring topology, etc.).
int	SYSTEMATIC = 1
	Selects the systematic sampling strategy (fragment-based 2D-to-3D structure generation followed by exhaustive torsion driving).
int	STOCHASTIC = 2
	Selects the stochastic sampling strategy (random sampling of rotatable bond torsion-angle distributions).

Detailed Description

Provides constants used to specify the employed conformer sampling method.