[gmx-developers] SAS or SES algorithm in GROMACS

[Tsjerk Wassenaar]

Hi Martin,

g_sas can generate the connely surface. You can run through the code
for the routines you need.

Cheers,

Tsjerk

On 1/23/07, Martin Höfling <martin.hoefling at gmx.de> wrote:
> Hi there,
>
> is there an algorithm in gromacs or one of the tools, that calculates
> molecular surfaces?
> I need the surface as dots (eg through triangulation) with sf normals. I used
> msms but due to stability issues and closed source i am looking for
> alternative code.
>
> Cheers
>         Martin
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.
>


-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623