Hi, The RDKit's valence model does not include explicit ionic bonds. There may be a useful workaround though... can you please provide an example molecule that you would like to work with?
Thanks, -greg On Mon, Aug 10, 2020 at 11:09 AM Behnaz Hoseyni <[email protected]> wrote: > Hello. Thank you for your very good module. I needed to find the ionic > bonds of the molecules, but I could not find the correct order in Rdkit. > GetBondType() only give single,Double, Triple & aromatic, But i need to get > ionic bond.Please help me. > thank you advance > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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