[phenixbb] Ordered solvent - wish list
pafonine at lbl.gov
Mon Aug 4 01:26:42 PDT 2008
in the upcoming PHENIX release the water picking procedure is improved
so it will not remove waters close to metals (as it was before). I just
made this fix. However, there is still no option to tell phenix.refine
which waters you want to keep regardless anything (the water still can
be removed based on the density hight and distances).
Once the new version is available: please let me know if it's still not
doing what you would like it to do. The sorting is not yet done.
> On the matter of ordered solvent I was just wondering if fixing specific
> waters (like ones close to metals) was implemented in the latest release.
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