r10010 - /1.3/generic_fns/structure/internal.py -- November 28, 2009 - 20:23

Author: bugman
Date: Sat Nov 28 20:23:51 2009
New Revision: 10010

URL: http://svn.gna.org/viewcvs/relax?rev=10010&view=rev
Log:
Added 'HH' and 'HZ' to the amino acid atom names in __det_pdb_element().

This is in response to Tiago Pais's <tpais att itqb dot unl dot pt> post at
https://mail.gna.org/public/relax-users/2009-11/msg00002.html (Message-id:
<AF0E494FAE984C0BB8D4C8CE521D621D@Mercurio>).


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=10010&r1=10009&r2=10010&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Sat Nov 28 20:23:51 2009
@@ -1144,7 +1144,7 @@
         # Amino acid atom translation table (note, numbers have been 
stripped already!).
         table = {'C': ['CA', 'CB', 'CG', 'CD', 'CE', 'CZ'],
                  'N': ['ND', 'NE', 'NH', 'NZ'],
-                 'H': ['HA', 'HB', 'HG', 'HD', 'HE', 'HT'],
+                 'H': ['HA', 'HB', 'HG', 'HD', 'HE', 'HH', 'HT', 'HZ'],
                  'O': ['OG', 'OD', 'OE', 'OH'],
                  'S': ['SD', 'SG']
         }