Author: bugman
Date: Mon Jan 12 14:10:36 2009
New Revision: 8404
URL: http://svn.gna.org/viewcvs/relax?rev=8404&view=rev
Log:
Passed the model_index and mol_index into __fill_object_from_pdb().
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=8404&r1=8403&r2=8404&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/internal.py (original)
+++ branches/multi_structure/generic_fns/structure/internal.py Mon Jan 12
14:10:36 2009
@@ -194,13 +194,15 @@
return bonded_num, bonded_name, element, pos, attached_name, None
- def __fill_object_from_pdb(self, records, struct_cont):
+ def __fill_object_from_pdb(self, records, model_index, mol_index):
"""Method for generating a complete Structure_container object from
the given PDB records.
@param records: A list of structural PDB records.
@type records: list of str
- @param struct_cont: The structural data container.
- @type struct_cont: StructContainer instance
+ @param model_index: The model index.
+ @type model_index: int
+ @param mol_index: The molecule index.
+ @type mol_index: int
"""
# Loop over the records.
@@ -214,7 +216,7 @@
# 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)
+ 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], model_index=model_index, mol_index=mol_index)
# Connect atoms.
if record[0] == 'CONECT':
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