.. _gmxapi:
=====================
gmxapi Python package
=====================
This documentation is part of the `GROMACS manual `_
and describes the *gmxapi* Python package.
:py:mod:`gmxapi` allows molecular simulation and analysis work to
be staged and run from Python.
From version 0.1, the latest official documentation is at http://manual.gromacs.org/current/gmxapi/.
Other releases can also be found at `GitHub `_.
.. toctree::
:maxdepth: 2
:caption: Documentation sections
userguide/userguide.rst
.. seealso::
gmxapi publications
Irrgang, M. E., Davis, C., & Kasson, P. M.
gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support.
*PLOS Comput Biol* 2022.
DOI: `10.1371/journal.pcbi.1009835 `_
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 `_
Indices and tables
==================
* :ref:`genindex`
* :ref:`search`