Open schallerdavid opened 2 years ago
Describe the bug The new RDKit release throws a KekulizeException at cell 21 of T006. It is about the Smarts pattern "[#6](:,-[#6]-,:[#7]-,:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#7]:,-[#6]" and the visualization with Draw.MolsToGridImage.
"[#6](:,-[#6]-,:[#7]-,:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#7]:,-[#6]"
Draw.MolsToGridImage
RDKit issue - 5156 TeachOpenCADD PR - #226
Check if we can unpin RDKit, see https://github.com/rdkit/rdkit/issues/5156#issuecomment-1091846722
Describe the bug The new RDKit release throws a KekulizeException at cell 21 of T006. It is about the Smarts pattern
"[#6](:,-[#6]-,:[#7]-,:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#7]:,-[#6]"
and the visualization withDraw.MolsToGridImage
.