.. _gmxapi:

=====================
gmxapi Python package
=====================

*gmxapi* is a collection of external interfaces for the GROMACS molecular simulation
and analysis library. It consists of a C++ API, a Python package, and a set of
sample code for extending MD simulation functionality.

.. todo::

    Link to online documentation once it has a URL.
    Presumably, this would be http://manual.gromacs.org/current/gmxapi/

..  toctree::
    :maxdepth: 2
    :caption: Documentation sections

    userguide/userguide.rst
    reference/reference.rst
    changelog

.. seealso::

    Irrgang, M. E., Hays, J. M., & Kasson, P. M.
    gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations.
    *Bioinformatics* 2018.
    DOI: `10.1093/bioinformatics/bty484 <https://doi.org/10.1093/bioinformatics/bty484>`_

    Other releases can also be found at `GitHub <https://www.github.com/kassonlab/gmxapi>`_.

Indices and tables
==================

* :ref:`genindex`
* :ref:`search`