From: |
"Miguel Lores Moreira" <miguel ^at^ ismm.edu.cu> |
Date: |
Fri, 22 Jan 1999 20:29:51 -0500 |
Subject: |
RV: CCL:CCL:Q:Accessible surface of Metal atom |
-----Mensaje original-----
De: Richard Wood
Para: 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-0at0-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
>> FAX +44 (0)1707 646730
>> E-mail mforster ^at^ nibsc.ac.uk
>>
>>
>>
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