Subject: Re: CCL:solvent accessible surface

From: "Robert Fraczkiewicz" <[email-masked]>
Date: Wed, 12 Feb 1997 10:28:26 -0600

On Feb 11,  6:52pm, <[email-masked]> wrote>
> I am looking for a program or routine to compute the EXACT solvent accessible
> surface area of molecules.
>
> Any help is appreciated.
>
> Thanx
>
> Luigi

Luigi,

We will be giving away program AREA that does EXACT, analytical calculations
of the solvent accessible surface area (and its gradient, if necessary)
based on the Gauss-Bonnet theorem. Please, consult this URL for more details
on the method:

http://www.scsb.utmb.edu/comp_biol.html/poster1/

Cheers,
Robert Fraczkiewicz
University of Texas Medical Branch