diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures index b244c22c00e7dda29e101093954bdaf10e1016f3..b12ceedf5119c524504dd9f11d2b6c851dbf9e2d 100644 --- a/actions/ost-compare-structures +++ b/actions/ost-compare-structures @@ -491,11 +491,7 @@ def _ReadStructureFile(path, c_alpha_only=False, fault_tolerant=False, """ def _Select(entity): - calpha_message = "Selecting only C-alpha atoms" selection_message = "Selecting %s" % selection - if c_alpha_only: - ost.LogInfo(calpha_message) - entity = entity.Select("aname=CA") if selection: ost.LogInfo(selection_message) entity = entity.Select(selection) @@ -505,7 +501,10 @@ def _ReadStructureFile(path, c_alpha_only=False, fault_tolerant=False, if not os.path.isfile(path): raise IOError("%s is not a file" % path) try: - entity = LoadPDB(path, fault_tolerant=fault_tolerant) + entity = LoadPDB( + path, + fault_tolerant=fault_tolerant, + calpha_only=c_alpha_only) if not entity.IsValid(): raise IOError("Provided file does not contain valid entity.") entity.SetName(os.path.basename(path)) @@ -516,7 +515,8 @@ def _ReadStructureFile(path, c_alpha_only=False, fault_tolerant=False, tmp_entity, cif_info = LoadMMCIF( path, info=True, - fault_tolerant=fault_tolerant) + fault_tolerant=fault_tolerant, + calpha_only=c_alpha_only) if len(cif_info.biounits) == 0: tbu = MMCifInfoBioUnit() tbu.id = 'ASU of ' + entity.pdb_id