Subject: Re: CCL:dock

From: Alessandro Contini <[email-masked]>
Date: Fri, 6 Sep 2002 20:22:54 +0200

For small molecule charges you can use any QM program as MOPAC or GAMESS to 
calculate charges, then convert it in mol2 with MOLDEN or VEGA.
For proteins you can assigne Kollman charges with ADT.
For software visit
http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html
Bye
Alessandro

Alle 19:38, venerdì 6 settembre 2002, Zhang Xiaodong ha scritto:
> hi, DOCK or Autodock users
>
> if no sybyl, How to get the charge which is calculated by SYBYL for
> dock (ALL ) or autodock program?
>
>
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-- 
Dott. Alessandro Contini
Istituto di Chimica Organica, Facoltà di Farmacia
Università degli Studi di Milano
Via Venezian, 21 20133 Milano
Tel. +390250314480  Fax +390250314476
http://users.unimi.it/istchimorg/pagconthtm.htm