From MAILER-DAEMON@www.ccl.net Mon Jul 14 09:07:12 1997 Received: from schiele for MAILER-DAEMON@www.ccl.net by www.ccl.net (8.8.3/950822.1) id IAA21816; Mon, 14 Jul 1997 08:58:36 -0400 (EDT) Received: by schiele (950911.SGI.8.6.12.PATCH825/940406.SGI.AUTO) id OAA00022; Mon, 14 Jul 1997 14:58:25 +0200 From: "Wolf-Dietrich Ihlenfeldt" Message-Id: <9707141458.ZM20@eros.ccc.uni-erlangen.de> Date: Mon, 14 Jul 1997 14:58:21 -0600 In-Reply-To: Wang Jiansuo "CCL:Where is software on interconversion of chemical structure systems based on WLN???" (Jul 14, 16:52) References: Reply-To: wdi@eros.ccc.uni-erlangen.de X-Phones: +49-9131-85-6579 X-Fax: +49-9131-85-6566 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: Wang Jiansuo Subject: Re: CCL:Where is software on interconversion of chemical structure systems based on WLN??? Cc: chemistry@www.ccl.net Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 8bit 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 --- The three proven methods for ultimate success and fame: 1) Nakanu nara koroshite shimae hototogisu 2) Nakanu nara nakasete miseyou hototogisu 3) Nakanu nara naku made matou hototogisu