On 20/06/16 12:07, Santhosh G wrote:
> After adding water molecules and successive refinement, still there are so many blobs resembling water but coordination is not 4 even distance is >3.2 A (in some cases).
>
> What might be possible atom/molecule that may occupy at these sites ?
>
>
> Please give your suggestions...
>
>
(set-ligand-water-to-protein-distance-limits min-d max-d)
(set-ligand-water-spherical-variance-limit varlim)
http://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/web/docs/coot.html#Find-Waters
Paul.
|