Subject: Re: CCL:Where is software on interconversion of chemical structure systems based on WLN???

From: "Wolf-Dietrich Ihlenfeldt" <[email-masked]>
Date: Mon, 14 Jul 1997 14:58:21 -0600

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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