CDPL.Shape.ScreeningSettings.AlignmentMode Class Reference

Bitmask flags specifying the strategies used to seed alignment starting transformations. More...

Inheritance diagram for CDPL.Shape.ScreeningSettings.AlignmentMode:

Static Public Attributes
int	NO_ALIGNMENT = 0
	Disable alignment entirely (overlap is computed in the input pose only).
int	SHAPE_CENTROID = 1
	Place the aligned shape at the centroid of the reference shape.
int	ATOM_CENTERS = 2
	Seed alignments by superimposing pairs of atom centers.
int	COLOR_FEATURE_CENTERS = 4
	Seed alignments by superimposing pairs of color (pharmacophore) feature centers.
int	RANDOM = 8
	Seed alignments with random rotations.

Detailed Description

Bitmask flags specifying the strategies used to seed alignment starting transformations.