r9645 - /1.3/generic_fns/structure/internal.py -- October 07, 2009 - 19:33

Author: bugman
Date: Wed Oct  7 19:33:53 2009
New Revision: 9645

URL: http://svn.gna.org/viewcvs/relax?rev=9645&view=rev
Log:
Prevented __find_bonded_atoms() from connecting protons in the internal PDB 
reader.


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=9645&r1=9644&r2=9645&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Wed Oct  7 19:33:53 2009
@@ -138,6 +138,10 @@
 
         # Atom loop.
         for i in xrange(len(mol.atom_num)):
+            # Skip proton to proton bonds!
+            if mol.element[index] == 'H' and mol.element[i] == 'H':
+                continue
+
             # The atom's position.
             pos = array([mol.x[i], mol.y[i], mol.z[i]], float64)