2009/11/18 Craig A. James <cja...@emolecules.com>:
> Tim,
>
> I've run into a problem: OpenBabel add a hydrogen to any potentially-chiral
> carbon that doesn't have four bonds, for example, when it parses "ClC(Br)I"
> (but not "ClC(Cl)Br" since it can't be chiral). I'm pretty sure it's the new
> stereo code that's doing this, but I haven't dug into it yet.
I don't think this is right:
>>> mol = pybel.readstring("smi", "ClC(Br)I")
>>> mol.OBMol.NumAtoms()
4
No hydrogen present. ?? Do I misunderstand?
> Thanks,
> Craig
>
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