Subject: AUTODOCK screening

From: "Xin Hu" <[email-masked]>
Date: Sun, 03 Dec 2000 11:44:36 -0600

Hi, 
I am a newer of CCL and this is my first poster. Hopefully someone will give
me a response!
My question is about AUTODOCK3.0. 
1) How to do screening using autodock? DO I need a special program to
prepare the input file of ligand or is there another version of Autodock for
screening?
2) Does someone know how to use autodock to deal with the metal in
macromolecules such as Zn? If simply adding  the Zn in the macrr.pdbqs file,
how to define the parameters in the macro.gpf file? what the value such as R
and Epsilon should be used?

I would be appreciated  for your help!

Xin Hu
College of Pharmacy
North Dakota State University
Fargo, ND58102
701-231-8298