Author: bugman Date: Wed May 21 11:53:16 2008 New Revision: 6186 URL: http://svn.gna.org/viewcvs/relax?rev=6186&view=rev Log: Activated the internal relax PDB parser. Modified: 1.3/generic_fns/structure/main.py Modified: 1.3/generic_fns/structure/main.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=6186&r1=6185&r2=6186&view=diff ============================================================================== --- 1.3/generic_fns/structure/main.py (original) +++ 1.3/generic_fns/structure/main.py Wed May 21 11:53:16 2008 @@ -32,6 +32,7 @@ from generic_fns import molmol from generic_fns.mol_res_spin import exists_mol_res_spin_data, generate_spin_id, return_molecule, return_residue, return_spin, spin_loop from generic_fns.sequence import write_header, write_line +from generic_fns.structure.internal import Internal from generic_fns.structure.scientific import Scientific_data from relax_errors import RelaxError, RelaxFileError, RelaxNoPipeError, RelaxNoSequenceError, RelaxPdbError from relax_io import get_file_path @@ -124,8 +125,10 @@ Parsers ======= - Currently only the Scientific Python parser is available for reading PDB files. This parser is - selected only if the parser keyword argument is set to 'scientific'. + A number of parsers are available for reading PDB files. These include: + + - 'scientific', the Scientific Python PDB parser. + - 'internal', a low quality yet fast PDB parser built into relax. @keyword file: The name of the PDB file to read. @@ -172,9 +175,11 @@ warn(RelaxNoPDBFileWarning(file_path)) return - # Place the Scientific Python structural object into the relax data store. + # Place the parser specific structural object into the relax data store. if parser == 'scientific': cdp.structure = Scientific_data() + elif parser == 'internal': + cdp.structure = Internal() # Load the structures. cdp.structure.load_pdb(file_path, model, verbosity)