From chemistry-request@ccl.net Fri Apr 30 02:49:15 2004
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Message-ID: <409205C1.30703~at~informatik.uni-tuebingen.de>
Date: Fri, 30 Apr 2004 09:52:33 +0200
From: "Joerg K. Wegner" <wegnerj~at~informatik.uni-tuebingen.de>
Organization: Department of Computer Architecture
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To: chemistry~at~ccl.net
Cc: Miguel Romero <mromcue~at~alumni.unav.es>
Subject: Re: CCL:FREE SOFTWARE
References: <40901E88.5060709~at~alumni.unav.es> <200404290948.29279.egonw~at~sci.kun.nl>
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Hi,

Overview:
http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html

Docking (academics):
Autodock (Linux only)
http://www.scripps.edu/pub/olson-web/doc/autodock/

Ghemical (includes Mopac) (+ OELib,OpenBabel, conformer generation !):
http://www.uku.fi/~thassine/ghemical/

QSAR:
JOELib
http://www-ra.informatik.uni-tuebingen.de/software/joelib/

Kind regards, Joerg

-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:wegnerj~at~informatik.uni-tuebingen.de
WWW:    http://www-ra.informatik.uni-tuebingen.de
--
Never mistake motion for action.
                                     (E. Hemingway)

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