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[ccp4bb]: water picking



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Dear CCP4BB,

We are refining various structures in the lab with CNS, two to 2.3A, 2
more to beyond 2A. Several of us feel that the CNS water_pick.inp is way
too conservative in picking waters. For instance, with a 200 residue
protein (1mol/AU) and 1.9A data, only 50 waters are picked after
refinement of the protein model to R/Rfree .29/.31 without waters. There
are additional peaks in the map that would seem good candidates for waters
visually.

So, my question - what is the consensus out there for the best method of
picking waters. Apologies if this has already been covered - I don't
remember seeing anything in the last year.

Thanks in advance,

Ed