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
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