Hi Gabriela, I think that if you have a model for your molecule the easiest way is: phenix.simple_ncs_from_pdb my_pdb_with_two_copies.pdb which will give you the matrices and RMSD. If you have no model but heavy atom sites instead, you can try: phenix.find_ncs my_mtz.mtz my_sites.pdb which will try to do the same thing, trying to limit the NCS to operators that yield similar density in the various copies. I hope that helps! -Tom T
Hi all,
how could i determine the r.m.s.d. and matrix of the NCS operator that relates two molecules in the asymmetric unit in P61? i would like to know whether there is rotational pseudosymmetry in the crystal because i see peaks for two molecules in the kappa=180ยบ SR map.
Thanks a lot! _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb