r8804 - /1.3/generic_fns/structure/internal.py -- February 15, 2009 - 14:54

Author: bugman
Date: Sun Feb 15 14:54:29 2009
New Revision: 8804

URL: http://svn.gna.org/viewcvs/relax?rev=8804&view=rev
Log:
When finding attached atoms, the radius of atoms assumed to be bonded has 
been increased to 2 Angstrom.


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=8804&r1=8803&r2=8804&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Sun Feb 15 14:54:29 2009
@@ -84,9 +84,9 @@
         # Init.
         bonded_found = False
 
-        # No bonded atoms, so go find everything within 1.2 Angstroms and 
say they are bonded.
+        # No bonded atoms, so go find everything within 2 Angstroms and say 
they are bonded.
         if not mol.bonded[index]:
-            self.__find_bonded_atoms(index, mol)
+            self.__find_bonded_atoms(index, mol, radius=2)
 
         # Loop over the bonded atoms.
         matching_list = []