[Chimera-users] Positioning of water molecules in a protein

[Beale, John]

Is there a way to use Chimera to determine what atoms/groups in a protein are closest to a particular water molecule? I have an x-ray structure that is solvated. I would like to determine the positions of the water molecules in the x-ray structure and compare these to the water molecule positions after molecular dynamics.

Thanks!

John

John M. Beale, Jr., Ph.D.
Professor of Medicinal Chemistry and Pharmacognosy
Saint Louis College of Pharmacy
4588 Parkview Place
Saint Louis, Missouri  63110
314-446-8461
Cell: 314-315-0409
FAX: 314-446-8460
jbeale at stlcop.edu<mailto:jbeale at stlcop.edu>

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