Subject: Nomenclature Programs

From: "J. Eric Slone" <[email-masked]>
Date: Fri, 11 Feb 1994 12:38:30 -0500 (EST)

Dear Netters:

Here is the information on the responses I received for a program to 
translate an IUPAC name to a structure.  I appreciate all of the response 
I received on this query.  

I have uploaded a Mac program called IUPAC.SIT to the ccl.net archives.
This program came from Compuserve and is currently in the /incoming
directory.  I'm not sure where it will end up once it's moved.  Since I
don't have a Mac, and have no way to play with it, I can't provide any
comments on it.  

For Windows, there is a program which many people wrote to me about, and
was mentioned in last week's C&EN called ChemNameStru.  It's available
from ChemInnovation Software, (619) 566-2846, San Diego, CA, USA.  Their
literature posts a price of $149, academic $129, "regular price" $249.

There is also a DOS program which was mentioned in many of the messages, 
but I don't have any contact information.  The price is somewhere 
around $300.

What I'd really like to see someday is a program that can take a
structure as input and generate a name for it.  Perhaps even have a
database of trivial names and display those also.  I don't suppose any
of the people out there involved in the "religious" discussion about
programming languages would care to tackle this one?

Just to put in my 10 cents on that topic, when I was working as a
programmer, I wrote code in Basic, Cobol, Pascal, Fortran, and C.  I
have to say, C was the best of the languages (in my humble opinion).

Thanks again to all who responded,

Eric

PS:  Does anyone have a free/shareware program to translate to/from
     SMILES notation?

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 J. Eric Slone                         Scientific Consulting Services
                                       Serving Government & Industry Since 1982
 Internet:   [email-masked]
 Compuserve: 73757,2776                "True science teaches, above all, to
 Fax:        (703) 751-6639             doubt, and to be ignorant."
 Voice:      (703) 461-7078                               Miguel do Unamuno
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