VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jul 12 2004 - 10:10:04 CDT

Ramesh,
  There isn't an easy way to do this with the currently available
versions of VMD, but depending on what you're going for, I'd imagine
that there must be programs around that'll calculate TPSA:
  http://www.daylight.com/meetings/emug00/Ertl/

One should in principle be able to perform this type of calculation via
the new "measure sasa" command found in the developmental version of
VMD 1.8.3, but the currently available versions don't have this command yet.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jul 12, 2004 at 02:22:48PM -0400, Ramesh Sistla wrote:
> Hi List!
>
> Is there a way I can get the PSA of a molecule using VMD? I will be
> grateful for any hint regarding this.
>
> regards and thanks.
>
> --
> :-)
> Ramesh K. Sistla
>
> The Prayer of India:
> --------------------
> lOkAh samastAh suKhinO bhavantu -- Let the entire world be in peace!
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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