python code examples for openbabel.OBMol. Learn how to use python api openbabel.OBMol. ... OpenBabel OBMol or pymatgen Molecule. object. mol2: The ...
pymatgen-openbabel
Sep 18, 2014 — Python Materials Genomics (pymatgen) is a robust materials analysis ... Using openbabel, many more extensions are supported but requires .... This page shows Python examples of pymatgen. ... Python pymatgen. ... that atom """ # Get the link to the OpenBabel representation of the atom obatom = atom. 3925e8d270