# save the rotated atoms to output PDB IMP.atom.write_pdb(orig_h, output_pdb) def quick_test(): rl = IMP.rotamer.RotamerLibrary() rc = IMP.rotamer.RotamerCalculator(rl) rc.set_was_used(True) if __name__ == '__main__': import sys P = IMP.ArgumentParser() P.add_argument('--input_pdb', '-i', action='store', help='input PDB file (required)') P.add_argument('--input_lib', '-l', action='store', help='input rotamer library file (required)') P.add_argument('--output_pdb', '-o', action='store', help='output PDB file (required)') P.add_argument('--verbose', '-v', action='store_true',