PBSA can print out the atom-based SASA, though you need to know how to
post-process the sander output file. Please set "npbverb=1" in your pbsa
input file ...
All the best,
Ray
==========================================
Ray Luo, Ph.D.
Associate Professor in Computational
Biochemistry and Molecular Biophysics
Dept of Molecular Biology and Biochemistry
Dept of Biomedical Engineering
University of California, Irvine, CA 92697-3900
Email: rluo.uci.edu Phones: (949) 824-9528, 9562
Web: http://rayl0.bio.uci.edu/rayl/
==========================================
On 12/6/2010 7:36 AM, Senthil Natesan wrote:
> Dear Amber Community,
>
> Greetings.
>
> I want to calculate SASA of a protein, per residue basis. I tried molsurf, but
> it just gives
> the total SASA. Is it possible to calculate SASA per residue? also is it
> possible to get polar and non-polar
> SASA separately ?
>
> Thanks,
>
> Senthil Natesan
>
>
>
>
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>
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Received on Mon Dec 06 2010 - 10:30:03 PST
