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
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Rajarshi Guha <[EMAIL PROTECTED]>
GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84
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667:
The neighbor of the beast.
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