Ok thank you for the help!


> 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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