#! /usr/bin/env ccp4-python # # Copyright (C) 2005 Ronan Keegan # # This code is distributed under the terms and conditions of the # CCP4 Program Suite Licence Agreement as a CCP4 Application. # A copy of the CCP4 licence can be obtained by writing to the # CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. # # convert_SG.py # # Script to extract convert between Spacegroup formats. # Ronan Keegan 18/09/07 import os import sys import string class Convert: """ A class to convert SG formats. """ def __init__(self): self.SG="" def xHMtoOld(self, spacegroup): """ Convert from xHM to old format. """ if ":R" in spacegroup: sg=spacegroup.replace(":R", "") if ":H" in spacegroup: sg=(spacegroup.replace(":H", "")).replace("R", "H") else: sg=spacegroup self.SG=sg return sg if __name__ == "__main__": SG="R 3 :R" c=Convert() c.xHMtoOld(SG)