[Rdkit-discuss] Nitrogen Valence

[Yuran W. <wan...@gm...>]

Hey,
I have a question regarding the available valence of Nitrogen. It seems
only 3 is available in the default setting (atomic_data.cpp). Why is it
kept to only 3, and not extended to include 4 and 5? If I change it locally
to include 4 and 5, will it cause any problems?

I am aware that I could turn off the sanitization to get a mol object,
however, it cannot be further processed to get fingerprints, which is what
I need.

Thanks,
Yuran