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Message-ID: <00c301be4670$faf89870$01010580 "-at-" ismm.ismm.edu>
From: "Miguel Lores Moreira" <miguel -AatT- ismm.edu.cu>
To: <chemistry # - at - # www.ccl.net>
Subject: RV: CCL:CCL:Q:Accessible surface of Metal atom
Date: 	Fri, 22 Jan 1999 20:28:26 -0500
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-----Mensaje original-----
De: Mark Forster <mforster $#at#$ nibsc.ac.uk>
Para: Steven.Creve ( ( at ) ) dsm-group.com <Steven.Creve ( ( at ) ) dsm-group.com>;
chemistry ( ( at ) ) www.ccl.net <>
Fecha: jueves 21 de enero de 1999 14:19
Asunto: 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.
>
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