Author: bugman
Date: Wed Jan 14 17:27:24 2009
New Revision: 8443
URL: http://svn.gna.org/viewcvs/relax?rev=8443&view=rev
Log:
Bug fixes for the load_pdb() method.
Modified:
branches/multi_structure/generic_fns/structure/internal.py
Modified: branches/multi_structure/generic_fns/structure/internal.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/internal.py?rev=8443&r1=8442&r2=8443&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/internal.py (original)
+++ branches/multi_structure/generic_fns/structure/internal.py Wed Jan 14
17:27:24 2009
@@ -655,13 +655,18 @@
mol_conts.append([])
mol_index = 0
orig_mol_num = []
+ new_mol_name = []
for mol_num, mol_records in self.__parse_mols(model_records):
+ # Only load the desired model.
+ if read_mol and mol_num not in read_mol:
+ continue
+
# Set the target molecule name.
if set_mol_name:
- new_mol_name = set_mol_name[mol_index]
+ new_mol_name.append(set_mol_name[mol_index])
else:
# Set the name to the file name plus the structure number.
- new_mol_name = file_root(file) + '_mol' + `mol_num`
+ new_mol_name.append(file_root(file) + '_mol' + `mol_num`)
# Store the original mol number.
orig_mol_num.append(mol_num)
@@ -682,7 +687,7 @@
model_index = model_index + 1
# Create the structural data data structures.
- self.pack_structs(mol_conts, orig_model_num=orig_model_num,
set_model_num=set_model_num, orig_mol_num=orig_mol_num,
set_mol_name=set_mol_name)
+ self.pack_structs(mol_conts, orig_model_num=orig_model_num,
set_model_num=set_model_num, orig_mol_num=orig_mol_num,
set_mol_name=new_mol_name)
# Loading worked.
return True
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
