.. |organization| replace:: scipion-chem
.. |repository| replace:: scipion-chem-openmm
   
.. _docs-chem-gromacs:

.. figure:: ../../../_static/images/plugins/openmm/logo.png
   :alt: openmm logo

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scipion-chem-openmm
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`OpenMM <https://openmm.org/>`_ is a high-performance toolkit for molecular simulation. 

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Installation
==========================================
A) Requirements
~~~~~~~~~~~~~~~~~~~~~~~~~~~
In order to use this plugin, you need to install first :ref:`pwchem-index`.

B) Installation steps
~~~~~~~~~~~~~~~~~~~~~~~~~~~
.. include:: ../../templates/plugins/installation/installation-steps.rst
.. include:: ../../templates/plugins/installation/only-devel.rst

==========================================
Protocols
==========================================

- :ref:`openmm-receptor-preparation`: Prepares a protein ``AtomStruct`` object using PDBFixer to prepare it for posterior analysis.
- :ref:`openmm-system-preparation`: Prepares a ``OpenMMSystem`` using the OpenMM API, including the preapred receptor and the solvent.

.. note::
   This plugin is currently under development and more protocols will be available soon.