On Tue, 2010-11-16 at 13:22 +0000, Paul Emsley wrote:
> > also is there any way of refining a zone around a metal ion without
> the sidechains vanishing into the metal density? I know the
> refine-by-sphere ("R") option works better, but then I have no control
> over what I'm refining
> >
>
Had the same problem when using the marvelous Refine/Improve
Ramachandran plot function - does a great job, but sometimes pushes
sidechains into the metal ion density. A workaround is to exclude
metals from the map by "Mask map by atom selection".
HTH,
Ed.
--
Coot verendus est
