From:	"Miguel Lores Moreira" <miguel &$at$& ismm.edu.cu>
Date:	Fri, 22 Jan 1999 20:28:26 -0500
Subject:	RV: CCL:CCL:Q:Accessible surface of Metal atom

-----Mensaje original-----
De: Mark Forster 
Para: Steven.Creve -AatT- 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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