From: Christoph S. <c.s...@un...> - 2003-10-21 11:32:23
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Peter Murray-Rust wrote: > I have at least two structures which=20 > go into infinite loops (I think). I would appreciate to see examples for this kind of problem. We had some reports for this behavior from the time I met You and=20 Juergen in Berlin, which later turned out to be complex ring systems=20 that take a lot of time (read: > 3-6 min) for an all-rings-search (for=20 aromaticity detection). It is important for me to understand if, at certain points in our code,=20 we have fundamental problems or if we are just victims of nature being a=20 b***h :-) Cheers, Chris --=20 Dr. Christoph Steinbeck (e-mail: c.s...@un...) Groupleader Junior Research Group for Applied Bioinformatics Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de) Z=FClpicher Str. 47, 50674 Cologne Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. |