[Dock-fans] Metal

Sudipto Mukherjee sudmukh at yahoo.com
Tue Sep 25 08:02:50 PDT 2007

Hi Snoze,

DOCK6 does support metal atoms. In your case, I guess you want to model the iron in Heme.
Use your favorite modeling software (sybyl or moe are good options) to model Heme as part of the receptor.
Save it as a mol2 file and it should work fine with dock.
Sudipto Mukherjee
Graduate Student, Robert C. Rizzo Lab
Dept. of Applied Math & Statistics, Stony Brook University
Lab: 631-632-8519, Mobile: 631-220-5744

----- Original Message ----
From: snoze pa <snoze.pa at gmail.com>
To: dock-fans at docking.org
Sent: Monday, September 24, 2007 12:31:59 PM
Subject: [Dock-fans] Metal

How to treat metal in DOCK6.0. Do we have parameter list for different metals

Moody friends. Drama queens. Your life? Nope! - their life, your story. Play Sims Stories at Yahoo! Games.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://blur.compbio.ucsf.edu/pipermail/dock-fans/attachments/20070925/a505e082/attachment.html 

More information about the Dock-fans mailing list