Re: [Rdkit-discuss] SDF and FindMolChiralCenters()

[Paolo T. <pao...@un...>]

Hi Dimitri,

glad to hear that you found a solution that works for you.
In case you were still interested, here is a way to perceive CIP 
chirality based on the atom parity flags as read from the SDF atom 
block, in the absence of information in the bond block:

https://gist.github.com/ptosco/ab668ad5c35875d8c47e0e6be9e37e79#file-set_chirality_from_atom_parity_flags-ipynb

Cheers,
p.

On 10/09/2016 22:40, Dimitri Maziuk wrote:
> On 09/10/2016 04:34 PM, David Cosgrove wrote:
> ...
>> Also, the atoms in a molecule should have the property _CIPRank set, you
>> might be able to do something with that.
> Possibly, but since the non-typo'ed function seems to do the trick,
> that's good enough for me.
>
> Thanks
>
>
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