r8483 - /branches/multi_structure/generic_fns/structure/scientific.py -- January 15, 2009 - 17:37

Author: bugman
Date: Thu Jan 15 17:37:00 2009
New Revision: 8483

URL: http://svn.gna.org/viewcvs/relax?rev=8483&view=rev
Log:
Bug fix for the load_pdb() method.

Molecules other than proteins and RNA are now correctly stored and their type 
set in mol_type.


Modified:
    branches/multi_structure/generic_fns/structure/scientific.py

Modified: branches/multi_structure/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/scientific.py?rev=8483&r1=8482&r2=8483&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/scientific.py (original)
+++ branches/multi_structure/generic_fns/structure/scientific.py Thu Jan 15 
17:37:00 2009
@@ -623,22 +623,23 @@
                 for mol in model.peptide_chains:
                     mol.mol_type = 'protein'
                     mol_conts[-1].append(mol)
+                    mol_conts[-1][-1].mol_type = 'protein'
                     self.target_mol_name(set=set_mol_name, 
target=new_mol_name, index=mol_index, mol_num=mol_index+1, file=file)
                     mol_index = mol_index + 1
 
             # Then the nucleotide chains (generating the molecule names and 
incrementing the molecule index).
             if hasattr(model, 'nucleotide_chains'):
                 for mol in model.nucleotide_chains:
-                    mol.mol_type = 'nucleic acid'
                     mol_conts[-1].append(mol)
+                    mol_conts[-1][-1].mol_type = 'nucleic acid'
                     self.target_mol_name(set=set_mol_name, 
target=new_mol_name, index=mol_index, mol_num=mol_index+1, file=file)
                     mol_index = mol_index + 1
 
             # Finally all other molecules (generating the molecule names and 
incrementing the molecule index).
             if hasattr(model, 'molecules'):
                 for key in model.molecules.keys():
-                    mol.mol_type = 'other'
-                    mol_conts[-1].append(model.molecules[key])
+                    mol_conts[-1].append(model.molecules[key][0])
+                    mol_conts[-1][-1].mol_type = 'other'
                     self.target_mol_name(set=set_mol_name, 
target=new_mol_name, index=mol_index, mol_num=mol_index+1, file=file)
                     mol_index = mol_index + 1