pan class="o">=</span><span class="s2">&quot;mol&quot;</span><span class="p">)</span>
                    <span class="c1"># OBMolecule does not contain pymatgen Molecule information</span>
                    <span class="c1"># So, we need to wrap the obmol in a BabelMolAdapter</span>
                    <span class="n">obmol</span><span class="o">.</span><span class="n">add_hydrogen</span><span class="p">()</span>
                    <span class="n">obmol</span><span class="o">.</span><span class="n">make