MMFF94 Atom Charges =================== The script *calc_mmff94_charges.py* demosntrates how to calculate MMFF94 atom charges :cite:`https://doi.org/10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P` for molecules read from a specified input file. **Synopsis** :program:`python` *calc_mmff94_charges.py* <file> **Code** .. literalinclude:: /downloads/calc_mmff94_charges.py :language: python :linenos: :lines: 21- :download:`Download source file</downloads/calc_mmff94_charges.py>`