[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



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