[phenixbb] Rotamer error in real space refinement

[Nikos Pinotsis]

Hi,

I am using real space refine with the latest phenix 1.21-5207 for fitting
a model into a cryoEM map. During refiment one Trp goes clearly out of
density (vertical to the density) although the map is very well defined at
this part of the protein.
I tried local_grid_search either for every cycle or last, however it
didn't fix the problem.
I know that this is reported a couple of years ago as fixed (dev-4218), I
am wondering if something changed during the last version.

Another solution I can think it to keep the side chain of this Trp fixed.
How can I do that?

thanks
Nikos


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Nikos Pinotsis
Associate Professor
Biochemistry, Department of Chemistry
National and Kapodistrian University of Athens