mailr10982 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on March 12, 2010 - 10:27:
Author: bugman
Date: Fri Mar 12 10:27:05 2010
New Revision: 10982

URL: http://svn.gna.org/viewcvs/relax?rev=10982&view=rev
Log:
Fix for the cone_edge() function for a non-zero apex position.


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=10982&r1=10981&r2=10982&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Fri Mar 12 10:27:05 2010
@@ -285,7 +285,9 @@
             y = sin(theta_max) * sin(phi_val)
             z = cos(phi_val)
             pos = array([x, y, z], float64) * scale
-            pos = dot(R, pos)
+
+            # Rotate and shift.
+            pos = apex + 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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