From:	Mark Forster <mforster &$at$& nibsc.ac.uk>
Date:	Thu, 21 Jan 1999 17:32:12 +0000
Subject:	Re: CCL:CCL:Q:Accessible surface of Metal atom

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
  Blanche Lane, South Mimms,
  Hertfordshire EN6 3QG, United Kingdom.

  Tel  +44 (0)1707 654753
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