Ok, my fault. Seems different values are returned. Still, the commentry is insufficient and I wonder what the difference is between AtomHybridizationDescriptor and AtomHybridizationVSEPRDescriptor (probably the algorithm, but what is AtomHybridizationDescriptor using?). Stefan -- Stefan Kuhn BSc MA IPB Halle AG Bioinformatik & Massenspektrometrie Weinberg 3 06120 Halle http://www.ipb-halle.de http://msbi.bic-gh.de [EMAIL PROTECTED] +49 (0) 345 5582 1474 Fax.+49 (0) 345 5582 1409
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