Great!
Thanks a lot, Jan!
Kind regards, Axel
On 06.10.22 12:23, Jan Halborg Jensen wrote:
Hi Axel
Have a look at https://github.com/jensengroup/protonator
Best regards, Jan
On 6 Oct 2022, at 12.09, Axel Pahl <axelp...@gmx.de> wrote:
Dear RDKitters,
does someone have a good SMARTS definition for basic nitrogen
(aliphatic and aromatic), which they would be able to share?
My Google-fu is failing me.
Many thanks in advance.
Kind regards,
Axel
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