shnitsel.rd¶

This module contains functions that accept an RDKit.Chem.Mol object; but not necessarily functions that return a Mol object.

Functions¶

`set_atom_props`(mol, **kws)
`mol_to_numbered_smiles`(mol)
`highlight_pairs`(mol, pairs)

Module Contents¶

set_atom_props(mol, **kws)¶

mol_to_numbered_smiles(mol)¶

Parameters:: mol (rdkit.Chem.Mol)
Return type:: str

highlight_pairs(mol, pairs)¶