VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Feb 17 2005 - 16:42:44 CST

Hi,
  I'm sure you could code up some Tcl script that used the
"measure sasa" command with the 'restrict' flag to query the
SASA for each residue, one by one. Any that are non-zero are
then contributors, so that should be pretty easy to crunch.
Give that a try and let us know if that works well enough for
your purposes. I don't know how fast it'll run, but it's a good
first step to try anyway.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Feb 17, 2005 at 05:33:15PM -0500, Francis Reyes wrote:
> I'm looking for leads to determine the residues which constitute the
> solvent accessible surface area . Any ideas would be appreciated.
>
>
> ------------------------------------------------------------------
> Francis E. Reyes
> Department of Chemistry, Pennsylvania State University
> 104 Chemistry Research Building
> Box 215
> University Park, PA 16802
>
> ruckerz(at)psu.edu
> ------------------------------------------------------------------ 

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