rxn.chemutils.conversion.split_smiles_and_fragment_info
- rxn.chemutils.conversion.split_smiles_and_fragment_info(reaction_smiles)[source]
The reaction SMILES from Pistachio sometimes contain fraction information at the end of the given string. This function splits both parts of the reaction SMILES.
- Parameters
reaction_smiles (
str) – (potentially extended) reaction SMILES.- Returns
(‘pure’ reaction SMILES, fragment information).
- Return type
Tuple