mailr8988 - /1.3/generic_fns/structure/main.py


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Posted by edward on March 20, 2009 - 17:35:
Author: bugman
Date: Fri Mar 20 17:35:00 2009
New Revision: 8988

URL: http://svn.gna.org/viewcvs/relax?rev=8988&view=rev
Log:
Allowed vectors() to generate vectors even if the spin numbers are different 
(for different PDBs).


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=8988&r1=8987&r2=8988&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Fri Mar 20 17:35:00 2009
@@ -345,8 +345,8 @@
         if not spin.select:
             continue
 
-        # The spin identification string.  The residue name is not included 
to allow molecules with point mutations to be used as different models.
-        id = generate_spin_id(mol_name=mol_name, res_num=res_num, 
res_name=None, spin_num=spin.num, spin_name=spin.name)
+        # The spin identification string.  The residue name and spin num is 
not included to allow molecules with point mutations to be used as different 
models.
+        id = generate_spin_id(mol_name=mol_name, res_num=res_num, 
res_name=None, spin_name=spin.name)
 
         # Test that the spin number or name are set (one or both are 
essential for the identification of the atom).
         if spin.num == None and spin.name == None:




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