[gmx-users] g_sas

[David]

On Tue, 2004-12-14 at 17:04 +0100, vincenzo venditti wrote:
> Dear all,
> I'm trying to carry out an accessible surface area calculation on a
> protein sistem bound to its substrate. There's a way to obtain this
> value without missing the steric contribution of substrate?
>  
You want to do three calculations: protein, ligand and complex. This
allows you to compute the occluded surface area due to the interaction.
(protein + ligand - complex)
> Thanks in advance,
> Vincenzo
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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