Thanks. Just out of curiosity: How did you fix it? Cloning or other fix? Cheers,
Chris Rajarshi Guha wrote: > > On Nov 3, 2008, at 11:26 AM, Christoph Steinbeck wrote: > >> The solution to this is that the ExtendedFingerprinter is performing an >> aromaticity detection on mol2 and the UniversalIsomorphismTester seems >> to have picked this up. >> If you run the same test on a non-aromatic molecules, it works fine. >> >> Since we need aromaticity information for the fingerprints, the >> fingerprinter should probably run on a clone. >> In any case, I'll file a bug. > > Bug filed and fixed in 1.2.x > > ------------------------------------------------------------------- > Rajarshi Guha <[EMAIL PROTECTED]> > GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 > ------------------------------------------------------------------- > 667: > The neighbor of the beast. > -- Dr. Christoph Steinbeck Head of Chemoinformatics and Metabolism European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2640 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
