mailr8743 - /1.3/generic_fns/structure/internal.py


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Posted by edward on February 05, 2009 - 14:46:
Author: bugman
Date: Thu Feb  5 14:46:28 2009
New Revision: 8743

URL: http://svn.gna.org/viewcvs/relax?rev=8743&view=rev
Log:
Added the atoms 'NZ' and 'OH' as nitrogens and oxygens of amino acids 
respectively.


Modified:
    1.3/generic_fns/structure/internal.py

Modified: 1.3/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=8743&r1=8742&r2=8743&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Thu Feb  5 14:46:28 2009
@@ -1096,9 +1096,9 @@
 
         # Amino acid atom translation table (note, numbers have been 
stripped already!).
         table = {'C': ['CA', 'CB', 'CG', 'CD', 'CE', 'CZ'],
-                 'N': ['ND', 'NE', 'NH'],
+                 'N': ['ND', 'NE', 'NH', 'NZ'],
                  'H': ['HA', 'HB', 'HG', 'HD', 'HE', 'HT'],
-                 'O': ['OG', 'OD', 'OE'],
+                 'O': ['OG', 'OD', 'OE', 'OH'],
                  'S': ['SD', 'SG']
         }
 




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