Ok thank you for the help!
Marina
> El 13 dic 2017, a las 11:22, Greg Landrum <greg.land...@gmail.com> escribió:
>
>
> On Wed, Dec 13, 2017 at 10:39 AM, Marina Garcia de Lomana
> <m.garciadelom...@gmail.com <mailto:m.garciadelom...@gmail.com>> wrote:
> Thanks for your answer Paolo!
> But I would need to read in the stereochemistry information from the SD file
> (7th column in the atom block) and not calculate the chirality from the
> coordinates, since this way the information about racemates would get lost.
>
> Is there a way to do that?
>
> There is not. In this case the RDKit follows the recommendation of the
> documentation for Mol files and ignores that field when reading structures.
> A standard way to indicate that you don't know the stereochemistry of a
> center despite there being 3D coordinates is to make one of the bonds from it
> a "squiggly" bond (i.e. bond type 4). The RDKit will recognize this and avoid
> assigning stereochemistry there.
>
> A request: please do not post questions both to the mailing list and to
> github. It's ok to use either one, but if you pick both it just makes more
> work and confusion for those of us who are trying to answer things.
>
> Thanks,
> greg
>
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