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Re: [ccp4bb]: monovalent cations in e-density
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Dear David,
I have used program WASP (WAter Screening Program) by Nayal and Di Sera
(J.Mol.Biol 256:228--234) which can screen a PDB file and locate "waters"
that are in fact mono or divalent cations. It should be possible to obtain
from the authors, email as in JMB paper: enrico@caesar.wustl.edu
Marko
____________________________________
Marko Hyvonen, PhD
Department of Biochemistry
University of Cambridge
http://www-cryst.bioc.cam.ac.uk/~marko
tel: +44-(0)1223-766 031 / 766 027
_______________________________________