High-level interface to the Daylight toolkit >>> from daylight import Smiles, Smarts >>> mol = Smiles.smilin("c1ccccc1O") >>> for atom in mol.atoms: ... print atom.symbol, len(atom.bonds) c 2 c 2 c 2 c 2 c 2 c 3 O 1 >>>
>>> from daylight import Smiles, Smarts >>> mol = Smiles.smilin("c1ccccc1O") >>> for atom in mol.atoms: ... print atom.symbol, len(atom.bonds) c 2 c 2 c 2 c 2 c 2 c 3 O 1 >>>