r2792 - /1.3/generic_fns/pdb.py -- November 09, 2006 - 10:12

Author: bugman
Date: Thu Nov  9 10:12:19 2006
New Revision: 2792

URL: http://svn.gna.org/viewcvs/relax?rev=2792&view=rev
Log:
Modified 'self.vectors()' to place the proton and heteronucleus name in 
'self.relax.data.res[run]'.

Previously the names were being placed into 'self.relax.data.pdb[run]' which 
is problematic for
task #3838 (https://gna.org/task/?3838).  This is also preventing the 
resolution of bug #7544
(https://gna.org/bugs/?7544).


Modified:
    1.3/generic_fns/pdb.py

Modified: 1.3/generic_fns/pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pdb.py?rev=2792&r1=2791&r2=2792&view=diff
==============================================================================
--- 1.3/generic_fns/pdb.py (original)
+++ 1.3/generic_fns/pdb.py Thu Nov  9 10:12:19 2006
@@ -228,10 +228,6 @@
         if self.print_flag:
             print "\nCalculating unit XH vectors.\n"
 
-        # Nuclei.
-        self.relax.data.pdb[self.run].proton = proton
-        self.relax.data.pdb[self.run].heteronuc = heteronuc
-
         # Number of structures.
         num_str = len(self.relax.data.pdb[self.run].structures)
 
@@ -348,6 +344,10 @@
                 if not match(res_name, data.name):
                     continue
 
+            # Set the proton and heteronucleus names.
+            data.proton = proton
+            data.heteronuc = heteronuc
+
             # No vectors.
             if data.xh_vect[0] == None:
                 del data.xh_vect