On Mon, Nov 3, 2008 at 3:23 PM, Mark Rijnbeek <[EMAIL PROTECTED]> wrote: > I attached an example test below. mol1 and mol2 are both Indole and > therefore sub graphs of each other. > However if you uncomment the fingerprinter line, the sub graph test > returns false. So it looks like the ExtendedFingerprinter is actually > changing mol2.
That would be rather nasty.. :( Which CDK version? Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- 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
