[phenixbb] ncs_average output map

Ursula Schulze-Gahmen uschulze-gahmen at lbl.gov
Mon Dec 12 11:27:48 PST 2011

I am puzzled about my ncs-averaged output map.
I determined the ncs relation using phenix.find_ncs with pdb and mtz input.
The program finds 2 NCS groups with 3 molecules each and the rmsds are low.
I then read in the ncs_spec file and an mtz file with map coefficients into
phenix.ncs_average. I used the FOFCWT, PHFOFCWT coefficients. The output
map seems cleaner than the unaveraged map and shows some of the same
features, but the density around the 3 molecules is not identical. 2 of
them look very similar, but the density around one of them is somewhat
different. How is this possible if the map is averaged?

Thanks for any suggestions or explanations.


Ursula Schulze-Gahmen, Ph.D.
Assistant Researcher
UC Berkeley, QB3
356 Stanley Hall #3220
Berkeley, CA 94720-3220
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