You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Describe the bug
Loading a structure containing a porphyrin into an RDKit molecule instance and rewriting it to mol format introduces some double bonds with bond stereo 3/either
To Reproduce
In [1]: from rdkit import Chem
In [2]: print(Chem.MolToMolBlock(Chem.MolFromMolFile('./input.mol')))
Describe the bug
Loading a structure containing a porphyrin into an RDKit molecule instance and rewriting it to mol format introduces some double bonds with bond stereo 3/either
To Reproduce
input.zip
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: