VMD-L Mailing List

From: Edward Lyman (edward.lyman_at_gmail.com)
Date: Thu Aug 12 2010 - 14:10:25 CDT

Hi there,

You will find the relevant documentation in the vmd manual under "measure."
the measure routine can do many things, among them measure SASA. you can
store the points on the surface out using the -points switch. search the
mailing list for more, i had some pretty detailed questions answered
recently.

good luck!
Ed

On Thu, Aug 12, 2010 at 12:26 PM, R. Johnson <rljohnson_at_ucdavis.edu> wrote:

> Hello Everyone,
>
> I am student and this is my first time using VMD. I would like to be able
> to calculate a solvent accessible surface of a small molecule and get the
> xyz coordinates on that surface. Is there a way to do that? I apologize if
> this is a silly question of if someone has asked it before.
>
> Thank you,
>
> Rene
>