Subject: Re: CCL:Re: CCL:Where is software on interconversion of chem

From: <[email-masked]>
Date: Wed, 16 Jul 1997 09:16:29 -0400

There are some software packages for Wiswesser notation. You can 
     contact Fraser-Williams for either the software, or they can convert 
     from the WLN database for you on a consulting basis.

______________________________ Reply Separator _________________________________
Subject: CCL:Re: CCL:Where is software on interconversion of chemical
Author:  [email-masked] at INTERNET
Date:    7/15/97 7:56 PM

     
On Jul 14, 16:52, Wang Jiansuo wrote:
> Subject: CCL:Where is software on interconversion of chemical structure sy 
> Dear netter,
>   Wiswesser Line Notation(WLN) is a widely-used method of chemical
     
I HOPE NOT! This kind of notation is an abomination. Are there 
any software packages around which stil use this represenation? 
This format was designed at a time when storage space was 
extremely expensive. It produces very compact
representations, at the cost of ridiculously convoluted 
and self-contradicting encoding rules. If you
need to use a line notation, you should employ 
the widely supported SMILES system.
If, however, you have some legacy database, you have 
my deepest sympathy and a lot of work to do.

> structure presentation.I am looking for programs that interconve between 
> WLN and Connection Table or other structure presentation systems.Any
> information of yours is appreciated. 
>   Thanks in advance.
> Your sincerely,
>
     
>-- End of excerpt from Wang Jiansuo

-- 
Dr. Wolf-D. Ihlenfeldt
Computer Chemistry Center, University of Erlangen-Nuernberg 
Naegelsbachstrasse 25, D-91052 Erlangen (Germany)
Tel (+49)-(0)9131-85-6579  Fax (+49)-(0)9131-85-6566 
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