[Joelib-devel] Re: smarts bug?

[Joerg K. W. <we...@in...>]

Hi Bo,

Yes and No, i've fixed the bug definitely last week and you should check
out the latest CVS version. Sorry, but my first fix contained
still an inconsistency and was breaking the 'new root atom picker' too
early.
Your examples work in my SMARTS testing environment.

Regards, Joerg


> I tried matching the smarts, Oc1ccccc1O, against the smiles string of 
> 4,5-Dihydroxypyrene, Oc1c(O)c2cccc3ccc4cccc1c4c23.
> 
> But there is no match.
> 
> I think there might be some problem related to pyrene.
> 
> I made it with the smarts, Oc1ccccc1O, against the smiles string of 
> 9,10-Dihydroxyphenanthrene, Oc1c(O)c2ccccc2c3ccccc13.
> 
> please, check out that problem.
> 
> Thanks for your effort.
> 
> Bo Hou.
> UM-BBD from University of Minnesota.
> 
> 
> 
> 
> 
> 
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-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
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