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>`