[phenixbb] rotational pseudosymmetry in P61?

Gabriela Guédez R. gabriela.guedez at bzh.uni-heidelberg.de
Wed Dec 23 08:58:33 PST 2009

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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