r15008 - /1.3/generic_fns/structure/superimpose.py -- November 22, 2011 - 14:31

Author: bugman
Date: Tue Nov 22 14:31:24 2011
New Revision: 15008

URL: http://svn.gna.org/viewcvs/relax?rev=15008&view=rev
Log:
Another fix for the print out of the structure.superimpose user function.

The final step of calculating the displacements to the final mean structure 
was incorrectly output.
This has no effect on the algorithm.


Modified:
    1.3/generic_fns/structure/superimpose.py

Modified: 1.3/generic_fns/structure/superimpose.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/superimpose.py?rev=15008&r1=15007&r2=15008&view=diff
==============================================================================
--- 1.3/generic_fns/structure/superimpose.py (original)
+++ 1.3/generic_fns/structure/superimpose.py Tue Nov 22 14:31:24 2011
@@ -181,7 +181,7 @@
     # Perform the fit once from the original coordinates to obtain the full 
transforms.
     for i in range(len(models)):
         # Calculate the displacements (Kabsch algorithm).
-        trans_vect, trans_dist, R, axis, angle, pivot = 
kabsch(name_from='model %s'%models[0], name_to='model %s'%models[i], 
coord_from=orig_coord[i], coord_to=mean)
+        trans_vect, trans_dist, R, axis, angle, pivot = 
kabsch(name_from='model %s'%models[i], name_to='the mean structure', 
coord_from=orig_coord[i], coord_to=mean)
 
         # Store the transforms.
         T_list.append(trans_vect)