Is there a way in Chimera to generate interresidue contact maps for proteins from MD data? Thanks! John M. Beale, Ph,D, Associate Professor of Medicinal Chemistry and Pharmaceutics St. Louis College of Pharmacy 4588 Parkview Place St. Louis, Missouri 63110 (314)-446-8461 Cell: (314)-315-0409 FAX (314) 446-8460 jbeale@stlcop.edu
On Oct 16, 2008, at 10:31 AM, Beale, John wrote:
Is there a way in Chimera to generate interresidue contact maps for proteins from MD data?
No, sorry. The closest you can get I think is to run findclash every frame and write out a list of contacts, which doesn't seem very good. VMD has a plugin that does exactly what you're asking for though: Contact Map Plugin, Version 1.1 --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
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Beale, John -
Eric Pettersen