CDPL.ConfGen.StructureGenerationMode Class Reference

Provides constants used to specify the 3D structure generation method that shall be employed. More...

Inheritance diagram for CDPL.ConfGen.StructureGenerationMode:

Static Public Attributes
int	AUTO = 0
	Specifies to select the structure generation strategy heuristically based on characteristics of the input molecule.
int	FRAGMENT = 1
	Specifies to perform structure generation by assembly of pre-built fragment conformers.
int	DISTANCE_GEOMETRY = 2
	Specifies to perform structure generation by a combination of distance geometry-based raw coordinates generation and subsequent force field refinement.

Detailed Description

Provides constants used to specify the 3D structure generation method that shall be employed.