From d3f012@gator.pnl.gov  Thu Dec  3 01:05:18 1992
Date: Thu, 3 Dec 92 09:05:18 PST
From: d3f012@gator.pnl.gov
Subject: RE:  Programs to predict metabolic products
To: chemistry@ccl.net
Message-Id: <9212031705.AA29847@gator.pnl.gov>


> 
> > From: rsjuds@snll-arpagw.llnl.gov (judson richard s)
> > Does anyone know of programs that take a molecule and predict the
> > the metabolic products, based on a set of rules about bonds that
> > are likely to be hydrolyzed, etc?
> 
> Such a program is given below:
> 
>       PROGRAM metbol
>       CHARACTER *80 input
>       READ( 5, *, END=900 ) input
> 
> 900   CONTINUE
>       WRITE( 6, * ) 'CO2, H20'
> 
>       END
> 
> ;-),
> -P.

Yes, but does it have a nice user interface with spiffy graphics?



> 
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> Peter S. Shenkin, Box 768 Havemeyer Hall, Dept. of Chemistry, Columbia Univ.,
> New York, NY  10027;  shenkin@still3.chem.columbia.edu;  (212) 854-5143
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