))
Out[6]: True
In [7]: mSe.HasSubstructMatch(Chem.MolFromSmarts('[C!H0,c!H0]'))
Out[7]: True
In [8]: mAu.HasSubstructMatch(Chem.MolFromSmarts('[C!H0,c!H0]'))
Out[8]: False
Akos Kokai <http://kaios.net/>
PhD candidate, Department of Environmental Sci
nts (!). I will re-examine
or redo that when I get a chance (and come back to you if it ends up still
looking like an RDKit-related problem after all).
Once again, thank you for your help.
Yours,
Akos
Akos Kokai <http://kaios.net/>
PhD candidate, Department of Environmental Science, P
2 matches
Mail list logo