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From: "Miguel Lores Moreira" <miguel at.at ismm.edu.cu>
To: <chemistry -AatT- www.ccl.net>
Subject: RV: CCL:CCL:Q:Accessible surface of Metal atom
Date: 	Fri, 22 Jan 1999 20:29:51 -0500
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-----Mensaje original-----
De: Richard Wood <dmpc()at()hugh.chem.uic.edu>
Para: unlisted-recipients:; (no To-header on input) <unlisted-recipients:;
(no To-header on input)>
CC: chemistry #*at*# www.ccl.net <>
Fecha: jueves 21 de enero de 1999 16:44
Asunto: CCL:CCL:Q:Accessible surface of Metal atom


>Is there a program like this that will run under Windows 95/98?
>
>Richard
>
>
>On Thu, 21 Jan 1999, Mark Forster wrote:
>
>> 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@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
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>>
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