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"
