I have a bunch of structures and of each I would like to find the largest cyclic substructure. I'm not a chemist, so I don't know if there is a common terminology for this. I hope, I made it clear what I'm looking for.
Example:
Each structure on the top (1,2,3) as input should return the bottom structure (4).
There is the rdkit.Chem.MCS
module which will return the maximum common substructure of a set of molecules.
But that's not what I'm looking for.
Any ideas? And hints where or which module to look at...? Which term to search for?
I'm aware that there is a RDKit mailing list, however, I'm asking here first, because of the possibility to easily attach images. If nobody can help me here, I will try there. Maybe it already goes into "heavier" programming which then would be more a topic for StackOverflow.
heavy_programming
→ SO;heavy_programming
+chemistry
→ MMSE. If you think MMSE could be a better place for your question, we can migrate it there. $\endgroup$