Subject: Problem with ligands containing halogens in AutoDock, Version 3.0.3

From: "Tikhonova Irina" <[email-masked]>
Date: Mon, 13 May 2002 22:50:35 +0400

Dear AutoDock users,
I have a problem with ligands containing halogens. 
For example, for ligand with F atom  it forms F-map in dpf-step but doesn't calculate F-map in the following step (autogrid) and autodock-step can't do nothing because of absence F-map.
In the case of Br atom, it doesn't form BR-map but autodock-step gives " Atom type error, cant't find type for "BR" in type list "CNOH" ".
What I should do?
Thank you in advance.

Irina Tikhonova
Division of Organic Chemistry

Department of Chemistry

Moscow State University

Lenin Hills, Moscow

Russia 119899

Tel: +7-095-939 35 57

Fax: +7-095-939 02 90

e-mail: [email-masked]