VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Feb 17 2005 - 16:42:44 CST
- Next message: John Stone: "Re: Stereo 3D by the Numbers"
- Previous message: Francis Reyes: "(no subject)"
- In reply to: Francis Reyes: "(no subject)"
- Next in thread: John Stone: "Re:"
- Reply: John Stone: "Re:"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
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
> ------------------------------------------------------------------
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: John Stone: "Re: Stereo 3D by the Numbers"
- Previous message: Francis Reyes: "(no subject)"
- In reply to: Francis Reyes: "(no subject)"
- Next in thread: John Stone: "Re:"
- Reply: John Stone: "Re:"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]