Algorithm for areaSAS calculations
Dear Ladies and Gentlemen, I have a question concerning calculation of areaSAS with chimera. Which algorithm is used? A Shrake-Rupley based algorithm? Thank you for your help. Sincerely, Michael Korbus Michael Korbus Dipl.-Ing. Biotechnologie (FH) Hochschule Darmstadt University of Applied Sciences Fachbereich Chemie u. Biotechnologie Schnittspahnstr. 12 D-64287 Darmstadt Tel +49/6151/16-8630 Fax +49/6151/16-8404
Dear Michael, The SAS and SES values come from the MSMS package. I don't know what algorithm is used, but it may be described somewhere in the MSMS website or reference linked to that site: <http://mgltools.scripps.edu/packages/MSMS/> Best, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Feb 18, 2013, at 1:27 AM, Korbus, Michael wrote:
Dear Ladies and Gentlemen,
I have a question concerning calculation of areaSAS with chimera. Which algorithm is used? A Shrake-Rupley based algorithm?
Thank you for your help.
Sincerely,
Michael Korbus
participants (2)
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Elaine Meng -
Korbus, Michael