mailr10979 - /1.3/generic_fns/structure/geometric.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on March 11, 2010 - 13:44:
Author: bugman
Date: Thu Mar 11 13:44:26 2010
New Revision: 10979

URL: http://svn.gna.org/viewcvs/relax?rev=10979&view=rev
Log:
Bug fix for create_cone_pdb() for when a rotation matrix is supplied.

The cone central axis was not being rotated!


Modified:
    1.3/generic_fns/structure/geometric.py

Modified: 1.3/generic_fns/structure/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/geometric.py?rev=10979&r1=10978&r2=10979&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Thu Mar 11 13:44:26 2010
@@ -313,7 +313,7 @@
 
     # Generate the axis vectors.
     print("\nGenerating the axis vectors.")
-    res_num = generate_vector_residues(mol=mol, vector=axis, 
atom_name='Axis', res_name_vect='AXE', res_num=2, origin=apex, scale=scale)
+    res_num = generate_vector_residues(mol=mol, vector=dot(R, axis), 
atom_name='Axis', res_name_vect='AXE', res_num=2, origin=apex, scale=scale)
 
     # Generate the cone outer edge.
     print("\nGenerating the cone outer edge.")




Related Messages


Powered by MHonArc, Updated Thu Mar 11 14:00:02 2010