diff --git a/modules/io/pymod/__init__.py b/modules/io/pymod/__init__.py index e92e93249eda23461cb500ba8a69a5778687c13e..344f971292b41d79cddbb61925c71d5296d0d474 100644 --- a/modules/io/pymod/__init__.py +++ b/modules/io/pymod/__init__.py @@ -21,7 +21,7 @@ from ost import mol,conop def LoadPDB(filename, restrict_chains="", no_hetatms=False, fault_tolerant=False, load_multi=False, - join_spread_atom_records=False): + join_spread_atom_records=False, calpha_only=False): """ Load PDB file from disk. @@ -46,8 +46,10 @@ def LoadPDB(filename, restrict_chains="", no_hetatms=False, reader=PDBReader(filename) flags=0 + if calpha_only: + flags|=PDB.CALPHA_ONLY if fault_tolerant: - flags=PDB.SKIP_FAULTY_RECORDS + flags|=PDB.SKIP_FAULTY_RECORDS if no_hetatms: flags|=PDB.NO_HETATMS if join_spread_atom_records: diff --git a/modules/io/pymod/repository.py b/modules/io/pymod/repository.py index ac6c1d1c27aaf396bc575ba17b868c99d2d85a6a..a0ed9cbddf073f54f0adf2e703e92efd1de95b6a 100644 --- a/modules/io/pymod/repository.py +++ b/modules/io/pymod/repository.py @@ -41,9 +41,10 @@ class ModelRepository: basename=self.file_pattern_ % {'id' : pdb_id, 'chain' :chain, 'dir' : pdb_id[1:3]} return os.path.join(self.directory_, basename) - def Load(self, pdb_id, chains=""): + def Load(self, pdb_id, chains='', calpha_only=False, fault_tolerant=False): return io.LoadPDB(self.FilenameForModel(pdb_id, chains), - chains) + chains, calpha_only=calpha_only, + fault_tolerant=fault_tolerant) def LoadMulti(self, pdb_id, chains=""): return io.LoadMultiPDB(self.FilenameForModel(pdb_id, chains))