Hi Nils, thank you for the links and mentioning that this is not a trivial task.
This project looks very interesting. However, unfortunately, I'm "bound" to Windows and the page says "Windows is not supported yet". The last activity seems to be 2 or 3 years ago... Looks like at some point I should switch to Linux ;-) best, Theo. > Hi Theo, > > this kind of structure elucidation is unfortunately not as trivial as it > may sound. Not based on RDKit, but maybe still worth looking at: > > https://pubmed.ncbi.nlm.nih.gov/22985496/ > https://sourceforge.net/projects/openmg/ > > Hope this helps, > Nils > _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
