.. pysimm documentation master file, created by
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pysimm v0.2.3 Reference Document
==================================

pysimm is a python package designed to facilitate structure generation, simulation, and modification of molecular systems by providing a collection of simulation tools and smooth integration with highly optimized third party software. Abstraction layers enable a standardized methodology to assign various force field models to molecular systems and perform simple simulations.

To read more, see our publication in SoftwareX_.

.. _softwarex: http://dx.doi.org/10.1016/j.softx.2016.12.002



Click below for pysimm's full documentation:

.. toctree::
   :maxdepth: 2

   pysimm