4 Aug
2008
4 Aug
'08
8:26 a.m.
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. Pavel.
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.