def run(args, command_name=libtbx.env.dispatcher_name): if (len(args) == 0): raise Usage("%s cif [...]" % command_name) for file_name in args: obj_count = cif_triage.check_comp(file_name=file_name) if (obj_count == 0): raise Sorry("No data found in file: %s" % show_string(file_name)) print "OK"
def run(args): assert len(args) == 0 amino_acid_resnames = sorted( iotbx.pdb.amino_acid_codes.one_letter_given_three_letter.keys()) geostd_path = libtbx.env.find_in_repositories( relative_path="chem_data/geostd", optional=False) for resname in amino_acid_resnames: file_name = op.join(geostd_path, resname[0].lower(), "data_" + resname + ".cif") assert cif_triage.check_comp(file_name=file_name) == 1 print "OK"
def run(args): assert len(args) == 0 amino_acid_resnames = sorted( iotbx.pdb.amino_acid_codes.one_letter_given_three_letter.keys()) geostd_path = libtbx.env.find_in_repositories( relative_path="chem_data/geostd", optional=False) for resname in amino_acid_resnames: file_name = op.join( geostd_path, resname[0].lower(), "data_"+resname+".cif") assert cif_triage.check_comp(file_name=file_name) == 1 print "OK"