From owner-chemistry@ccl.net Tue Nov  8 10:53:00 2005
From: "Stouten, Pieter Nervianoms Pieter.Stouten%a%nervianoms.com" <owner-chemistry,;,server.ccl.net>
To: CCL
Subject: CCL: how to find active site?
Message-Id: <-29901-051108064102-20005-qZF9i8vFg9E/WadEosbEPg,;,server.ccl.net>
X-Original-From: "Stouten, Pieter [Nervianoms]" <Pieter.Stouten]_[nervianoms.com>
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Date: Tue, 8 Nov 2005 11:40:39 +0100
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Sent to CCL by: "Stouten, Pieter [Nervianoms]" [Pieter.Stouten-,-nervianoms.com]
Hello Steven,

You could try PASS (Putative Active Sites with Spheres):

<http://www.ccl.net/cca/software/UNIX/pass/overview.shtml>

As far as I know, it is the fastest and (maybe with the exception of Ajay Jain's) the best active site finder.

Good luck,

Pieter

Pieter F.W. Stouten, Ph.D.
Sr. Research Advisor and Head, Molecular Modelling & Design
Nerviano Medical Sciences, Nerviano (Mi), Italy


-----Original Message-----
> From: owner-chemistry.:.ccl.net [mailto:owner-chemistry.:.ccl.net]
Sent: Saturday, November 05, 2005 3:11 AM
To: Stouten, Pieter [Nervianoms]
Subject: CCL: how to find active site?


Hi, Everyone!
  
  I will very appreciate if somebody lets me know how to find an active site
> from a protein-ligand structure?
  Thank you!

Steven


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