Re: [Rdkit-discuss] Explicit valence for atom # 2 N greater than permitted

[Greg L. <gre...@gm...>]

The only way is to fix the structures in the input file. If you look
at the molecules where the problem is happening, you will find
nitrogen atoms that have too many bonds (i.e. where you can't draw a
valid Lewis dot structure). If you correct the valences of those
nitrogens, the RDKit will read the molecules.

-greg


2009/10/29 Christian de Bouillé <amb...@wa...>:
> Dear Greg
>
> I have a lot of
> Explicit valence for atom # 2 N greater than permitted
>
> Is a way to get the descriptors in this case ?
>
> Best Regards
>
> Bouillé
>
>
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