[phenixbb] rotational pseudosymmetry in P61?
Thomas C. Terwilliger
terwilliger at lanl.gov
Wed Dec 23 10:31:21 PST 2009
I think that if you have a model for your molecule the easiest way is:
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!
>> 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=180º SR map.
>> Thanks a lot!
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>> phenixbb at phenix-online.org
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