mailr11900 - /1.3/generic_fns/structure/internal.py


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Posted by edward on December 19, 2010 - 15:43:
Author: bugman
Date: Sun Dec 19 15:43:54 2010
New Revision: 11900

URL: http://svn.gna.org/viewcvs/relax?rev=11900&view=rev
Log:
Removed the 2 from CH2 in the atom list in the element determining function.

This is in response to Vitaly Vostrikov's <vvostri att gmail dott com> 
message at Message-id:
<AANLkTimYA4H7=WbMwzgpxaTJ6_nArKu=ed9VNdXCSuDB@xxxxxxxxxxxxxx>,
https://mail.gna.org/public/relax-users/2010-12/msg00013.html.


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=11900&r1=11899&r2=11900&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Sun Dec 19 15:43:54 2010
@@ -1149,7 +1149,7 @@
         element = strip(element, digits)
 
         # Amino acid atom translation table (note, numbers have been 
stripped already!).
-        table = {'C': ['CA', 'CB', 'CG', 'CD', 'CE', 'CH2', 'CZ'],
+        table = {'C': ['CA', 'CB', 'CG', 'CD', 'CE', 'CH', 'CZ'],
                  'N': ['ND', 'NE', 'NH', 'NZ'],
                  'H': ['HA', 'HB', 'HG', 'HD', 'HE', 'HH', 'HT', 'HZ'],
                  'O': ['OG', 'OD', 'OE', 'OH', 'OT'],




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