toolbox.structural_alignment Namespace Reference

Functions
def	kabsch_alignment

Function Documentation

def toolbox.structural_alignment.kabsch_alignment	(		pose1,
			pose2,
			pose1sel = [],
			pose2sel = []
	)

optAlign performs the Kabsch alignment algorithm upon the alpha-carbons of two selections.
  
By default, this program will optimally align the ALPHA CARBONS of the selections provided.
To turn off this feature remove the lines between the commented "REMOVE ALPHA CARBONS" below.
 
This is a hacky modification for usage in PyRosetta,
The geometry/math is the same but it uses poses instead of PyMOL
 
@param pose1: First pose
@param pose2: Second pose
@param pose1sel: List of residues to align in the first pose
@param pose2sel: List of residues to align in the second pose

Definition at line 55 of file structural_alignment.py.

References ObjexxFCL.abs(), toolbox.extract_coords_pose.extract_coordinates_from_pose_1x3(), ObjexxFCL.len(), and sum().