Users have expressed the desire to allow the specification of the core atoms using SMARTS patterns. This should allow a higher flexibility when dealing with ligands for which users know the shared core but we don't have them in the exact same position, for example.
ijpulidos
commented
2 years ago
Users have expressed the desire to allow the specification of the core atoms using SMARTS patterns. This should allow a higher flexibility when dealing with ligands for which users know the shared core but we don't have them in the exact same position, for example.