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Date: Thu, 21 Jan 1999 17:32:12 +0000
From: Mark Forster <mforster - at - nibsc.ac.uk>
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To: Steven.Creve;at;dsm-group.com, chemistry;at;www.ccl.net
Subject: Re: CCL:CCL:Q:Accessible surface of Metal atom
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Dear Steve

I would like to suggest the program 'NACCESS' by Simon Hubbard,
although designed for protein use it is quite general. I recently tried
it on an iridium complex for example. For commercial
users a (small) fee is charged. See the WWW page

    http://sjh.bi.umist.ac.uk/naccess.html


Steven.Creve (- at -) dsm-group.com wrote:

> Hi all,
>
> Suppose you have a transition metal complex. How can one quantify the
> 'accessible surface' of the metal atom for an incoming ligand? Do there exist
> any software packages that yield quantities like that or related to that?
>
> Thank you,
>
> Steven Creve
> DSM Research
> Geleen
> The Netherlands
> steven.creve <-at-> dsm-group.com
>
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--

  Dr Mark J Forster Ph.D.
  Principal Scientist
  Informatics Laboratory
  National Institute for Biological Standards and Control
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