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Date: Sat, 08 Jun 2002 09:10:54 +0200
From: Oliver Hucke <Oliver.Hucke #at# physchem.uni-freiburg.de>
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To: Pedro A Reche <reche {*at*} research.dfci.harvard.edu>, chemistry {*at*} ccl.net
Subject: Re: solvent accessibility
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Dear Pedro,

the command WRITE_DATA of the program MODELLER calculates solvent
accessible surface areas for the complete amino acid, for the polar and
the apolar parts of the side chain, the complete side chain and the main
chain region of each residue in a pdb file. It also calculates the
solvent accessible surface area of each atom and prints it to a modified
pdb file.

Hope this helps.

Best,

Oliver


Pedro A Reche wrote:
> 
> Hi all,
> does anyone know of a good unix program to calculate the percentage of
> the area that is accessible/buried for every residue/side chain in a pdb
> file?
> 
> Cheers
> *******************************************************************
> PEDRO A. RECHE , pHD            TL: 617 632 3824
> Dana-Farber Cancer Institute,   FX: 617 632 4569
> Harvard Medical School,         EM: reche #at# research.dfci.harvard.edu
> 44 Binney Street, D1510A,       EM: reche \\at// mifoundation.org
> Boston, MA 02115                URL:
> http://www.reche.org
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-- 
____________________________________________________________________________

Oliver Hucke
Inst. fuer Physikalische Chemie II
Universitaet Freiburg
Albertstr. 23a
D-79104 Freiburg

Tel. :  +49-761-203-5130 (/-6179)
Fax. :  +49-761-203-6189
email:  Oliver.Hucke%!at!%physchem.uni-freiburg.de
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