mailr10978 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on March 11, 2010 - 13:42:
Author: bugman
Date: Thu Mar 11 13:42:36 2010
New Revision: 10978

URL: http://svn.gna.org/viewcvs/relax?rev=10978&view=rev
Log:
Bug fix for cone_edge() for when a rotation matrix is supplied.

The latitude points were 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=10978&r1=10977&r2=10978&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Thu Mar 11 13:42:36 2010
@@ -243,6 +243,7 @@
             y = sin(theta_max) * sin(phi_val)
             z = cos(phi_val)
             pos = array([x, y, z], float64) * scale
+            pos = dot(R, pos)
 
             # Add the atom.
             mol.atom_add(pdb_record='HETATM', atom_num=atom_num, 
atom_name=get_proton_name(atom_num), res_name=res_name, chain_id=chain_id, 
res_num=res_num, pos=pos, segment_id=None, element='H')




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