r6680 - /branches/rdc_analysis/generic_fns/structure/internal.py -- July 04, 2008 - 18:43

Author: bugman
Date: Fri Jul  4 18:43:32 2008
New Revision: 6680

URL: http://svn.gna.org/viewcvs/relax?rev=6680&view=rev
Log:
Added code to connect atoms via CONECT records in the internal PDB reader.


Modified:
    branches/rdc_analysis/generic_fns/structure/internal.py

Modified: branches/rdc_analysis/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/generic_fns/structure/internal.py?rev=6680&r1=6679&r2=6680&view=diff
==============================================================================
--- branches/rdc_analysis/generic_fns/structure/internal.py (original)
+++ branches/rdc_analysis/generic_fns/structure/internal.py Fri Jul  4 
18:43:32 2008
@@ -70,6 +70,12 @@
             # Add the atom.
             if record[0] == 'ATOM' or record[0] == 'HETATM':
                 self.atom_add(pdb_record=record[0], atom_num=record[1], 
atom_name=record[2], res_name=record[4], chain_id=record[5], 
res_num=record[6], pos=[record[8], record[9], record[10]], 
segment_id=record[13], element=record[14], struct_index=struct_index)
+
+            # Connect atoms.
+            if record[0] == 'CONECT':
+                # Loop over the atoms of the record.
+                for i in xrange(len(record)-2):
+                    
self.atom_connect(index1=self.__atom_index(atom_num=record[1]), 
index2=self.__atom_index(atom_num=record[i+2]), struct_index=struct_index)
 
 
     def __get_chemical_name(self, hetID):