Exemple #1
0
def writeoff(root, amber_prmtop, messages):
   """ Dumps an OFF library to a given filename """
   fname = save_file_chooser('OFF library', '.lib')
   if fname: 
      action = ParmedActions.writeoff(amber_prmtop, ArgumentList(fname))
      messages.write('%s\n' % action)
      action.execute()