On 01/21/15 15:04, Pavel Afonine wrote:
(And why not make every water into UNX for good measure as well?)
Why not indeed, except that I would not call it water but "Dummy Atom"
with an element type of your choice.
there was a time long ago when budding crystallographers were taught to
refer to "solvent" atoms rather than "waters" if there was doubt.
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
[email protected]
