[phenixbb] Ordered solvent - wish list

Pavel Afonine pafonine at lbl.gov
Mon Aug 4 01:26:42 PDT 2008

Hi  Andrzej,

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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