[Chimera-users] Algorithm for areaSAS calculations

Elaine Meng meng at cgl.ucsf.edu
Tue Feb 19 09:53:03 PST 2013


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




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