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



 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
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