[gmx-developers] SAS or SES algorithm in GROMACS
tsjerkw at gmail.com
Tue Jan 23 16:53:43 CET 2007
g_sas can generate the connely surface. You can run through the code
for the routines you need.
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.
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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