Subject: Autodock - sort routine for docked runs

From: Nik <[email-masked]>
Date: Fri, 12 Jul 2002 13:34:10 +0200

Hi to all,

I just started using Autodock. After eyeballing the first results, I
started to wonder whether or not there is a way of resorting the docked
conformations according to the different energies (e.g. Final Docked
Energy, Final Intermolecular Energy etc.). I couldn't find an according
tool in the share directory, therefore I wanted to ask if anybody could
guide me to a link or similar where I can get something like that.
I would appreciate any tool that is easily portable to Linux (e.g.
fortran, c, c++, perl, etc), since it would save me the time for
programming it myself ...

Many thanks in advance,

Nik

-------------------
Nik Stiefl
University of Wuerzburg
Department of Pharmacy
Chemometriks group
Am Hubland
97074 Wuerzburg, Germany
[email-masked]