7 This documentation is part of the `GROMACS manual <http://manual.gromacs.org/current/>`_
8 and describes the *gmxapi* Python package.
9 :py:mod:`gmxapi` allows molecular simulation and analysis work to
10 be staged and run from Python.
12 From version 0.1, the latest official documentation is at http://manual.gromacs.org/current/gmxapi/.
13 Other releases can also be found at `GitHub <https://www.github.com/kassonlab/gmxapi>`_.
17 :caption: Documentation sections
19 userguide/userguide.rst
23 gmxapi was first described by
25 Irrgang, M. E., Hays, J. M., & Kasson, P. M.
26 gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations.
27 *Bioinformatics* 2018.
28 DOI: `10.1093/bioinformatics/bty484 <https://doi.org/10.1093/bioinformatics/bty484>`_