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@stlcop.edu