Subject: Re: CCL:Database screening with Autodock

From: "Armin M. Sobhani" <[email-masked]>
Date: Sat, 01 Mar 2003 21:30:28 +0330

Dear Marco,

I've succeeded in compiling AutoDock 3.0.5 under Windows 9x/Me/NT/2000/XP. 
It only consists of three main executive programs (i.e. autotors, autogrid 
and autodock). It lacks all unix shell and awk scripts and that's why I am 
working on a graphical front-end for it (named WAD, i.e. Windows AutoDock) 
using MFC and Visual C++. In this front-end you can specify several ligand 
molecules in HyperChem7 HIN format as input. It's possible to implement 
other file formats in the future. In my rough estimate the first working 
release would be ready in a two-week period. If you are interested, I will 
let you know when it's ready.

Cheers,

Armin

At 11:25 Þ.Ù 2003/02/28 +0100, you wrote:
>my question is about database screening with AUTODOCK3.0.5;
>If possible i would like to screen entire ACD database with autodock, but i'm
>still looking for someone who did it...
>I know there is no  a "standard" method to do this, but i think it's possible
>with some shell scripts...
>Have you some information about this question?

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|    /  \ /  _   _  \  / ____\ Armin M. Sobhani, PharmD, PhD        |
|   /    \\  \\  \\  \/\ \___/_ Assitant Prof., Pharmacology Dept.  |
|  /  /\  \\  \\  \\  \ \_____ \ Iran University of Medical Sciences|
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