Hi,
While testing the changes to correctly canonicalize multi-fragment SMILES,
I noticed the same problem and it seems to only occur for multi-fragment
molecules. I reported this on the openbabel-devel mailing list with title "More
multi-fragment canonical SMILES tests". I'm not sure where things
Hi there,I'm converting some molecules to 2D format, and some of them are extremely small and/or uncommon in normal chemistry (e.g. nitrogen atoms). I'm running into an issue where sometimes it automatically adds hydrogen atoms. For example, I have a reaction where NH is split into N and H atoms,
