def main():
pdb = parse_PDB(sys.argv[1])
for name, xyz in zip(
['B', 'C', 'X'],
[XYZ(7.5, 0, 0), XYZ(0, 7.5, 0),
XYZ(7.5, 7.5, 7.5)]):
new_chain = copy.deepcopy(pdb.chains['A'])
new_chain.change_chain_name(name)
new_chain.translate_xyz(xyz)
pdb.add_chain(new_chain)
pdb.renumber()
write_PDB('test.pdb', pdb)
def read_RBs(file_name):
results = []
with open(file_name, 'r') as fin:
for l in fin:
floats = [float(a) for a in l.split()[1:]]
rb = RigidBody(XYZ(floats[0], floats[1], floats[2]),
XYZ(floats[3], floats[4], floats[5]),
XYZ(floats[6], floats[7], floats[8]),
XYZ(floats[9], floats[10], floats[11]))
results.append(rb)
break
print(results)
