mailr5108 - /1.3/generic_fns/structure.py


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Posted by edward on February 21, 2008 - 15:19:
Author: bugman
Date: Thu Feb 21 15:19:04 2008
New Revision: 5108

URL: http://svn.gna.org/viewcvs/relax?rev=5108&view=rev
Log:
Bug fix in the generate_vector_dist() function.

The centre of the distribution is called 'centre' and not 'R', as it used to 
be for the diffusion
tensor.


Modified:
    1.3/generic_fns/structure.py

Modified: 1.3/generic_fns/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure.py?rev=5108&r1=5107&r2=5108&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Thu Feb 21 15:19:04 2008
@@ -772,7 +772,7 @@
             vector = vector * scale
 
             # Position relative to the centre of mass.
-            pos = R + vector
+            pos = centre + vector
 
             # Add the vector as a H atom of the TNS residue.
             atom_add(atomic_data=atomic_data, atom_id=atom_id, 
record_name='HETATM', atom_name='H'+`atom_num`, res_name=res_name, 
chain_id=chain_id, res_num=res_num, pos=pos, element='H')




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