stko.mol_from_mae_file

stko.mol_from_mae_file(mae_path)

Creates a rdkit molecule from a .mae file.

Parameters:

• mol2_file – The full path of the .mae file from which an rdkit molecule should be instantiated.

• mae_path (Path | str)

Returns:

An rdkit instance of the molecule held in mae_file.

Return type:

Mol