r7315 - /1.3/generic_fns/structure/internal.py -- September 25, 2008 - 20:33

Author: bugman
Date: Thu Sep 25 20:33:51 2008
New Revision: 7315

URL: http://svn.gna.org/viewcvs/relax?rev=7315&view=rev
Log:
Fix for the extraction of unit XH bond vectors.

There was a problem if the loaded sequence had residue names in mixed case 
when extracting atoms
from a PDB file which has all in upper case.


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=7315&r1=7314&r2=7315&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Thu Sep 25 20:33:51 2008
@@ -26,7 +26,7 @@
 # Python module imports.
 from numpy import array, float64, linalg, zeros
 from re import search
-from string import split, strip
+from string import split, strip, upper
 from warnings import warn
 
 # relax module imports.
@@ -705,8 +705,8 @@
                                     return_warnings are set)
         """
 
-        # Generate the selection object.
-        sel_obj = Selection(atom_id)
+        # Generate the selection object, using upper case to avoid PDB file 
issues.
+        sel_obj = Selection(upper(atom_id))
 
         # Initialise some objects.
         vectors = []