Subject: Re: CCL:smart molecule builder

From: Denis Bayada <[email-masked]>
Date: Fri, 28 Jul 95 10:40:39 GMT

>	I am looking for info on a program.  I do not recall the name or
>	who distributes it (someone in academia... I know that doesn't narrow
>	the field much).  The basics of the program is that you describe
>	3D positions of various functionalities, and the program builds a
>	molecule to best fit your input.  I understand it is intended for
>	the development of inhibitors.  Once you obtain a crystal structure,
>	you can find binding sites & this program will build a prototype of
>	an inhibitor.
>
>	Thank you,
>	Heather Carlson
>	[email-masked]

You are perhaps refering to the SPROUT program developed at the University of
Leeds.  For information, contact Dr AP Johnson ([email-masked]) or
URL: http://chem.leeds.ac.uk/ICAMS/

Denis

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Denis M. Bayada		e-mail:	[email-masked]
ICAMS			voice:	(44) (0)113 233 65 95
School of Chemistry	fax:	(44) (0)113 233 65 63
University of Leeds	http://chem.leeds.ac.uk/ICAMS/ICAMS.html
Leeds LS2 9JT
ENGLAND

... but as I proceeded in my labour, it became every day more horrible 
and irksome to me.  Sometimes I could not prevail on myself to enter my 
laboratory for several days, and at other times I toiled day and night 
in order to complete my work.  It was, indeed, a filthy process in which 
I was engaged.
Frankenstein (Mary Shelley)
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