Subject: Re: MDL MOL File Format

From: "M. Nicklaus" <[email-masked]>
Date: Tue, 2 Dec 1997 15:30:36 -0500 (EST)

On Tue, 2 Dec 1997, an-Pierre Schoch <[email-masked]> wrote:

> I want to produce a file in mdl mol  and sdf format from a fortran
> program. Does anybody know where
> I can find the file specifications.

Dalby et al., J. Chem. Inf. Comput. Sci. 32(3), 244-255 (1992)

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus                        National Institutes of Health
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 Phone:  (301) 402-3111                  BETHESDA, MD 20892-4255    USA
 Fax:    (301) 496-5839    
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    Laboratory of Medicinal Chemistry, National Cancer Institute,  &
  Lab. of Structural Biology, Div. of Computer Research and Technology
------------------------------------------------------------------------

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From: Mark Benzel <[email-masked]>
Date: Tue, 02 Dec 1997 13:43:40 -0800

Go to:

http://www.mdli.com/prod/fileformats.html

You can download an Adobe Acrobat file with the description of the MDL
file formats.

-- 
Mark Benzel     Silicon Graphics, Inc.     [email-masked]