:orphan: true

.. _pwchem-rmsd-docking:

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RMSD docking
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This protocol allows the user to calculate the RMSD between a ``SetOfSmallMolecules`` to a reference molecule docked to the
same receptor. The reference molecule can come either from a ``AtomStruct`` or a ``SetOfSmallMolecules``.

Input
----------------------------------------
.. include:: ../../../../templates/plugins/input-help.rst

.. image:: ../../../../../_static/images/plugins/pwchem/virtual-drug-screening/rmsd-docking/form_1.png
   :alt: RMSD docking form 1
   :height: 400
   :align: center

|

.. image:: ../../../../../_static/images/plugins/pwchem/virtual-drug-screening/rmsd-docking/form_2.png
   :alt: RMSD docking form 2
   :height: 400
   :align: center

|

The result of this protocol is a ``SetOfSmallMolecules`` with the calculated RMSD to the reference molecule.

.. |testCommand| replace:: pwchem.tests.tests_docking.TestRMSDDocking
.. include:: ../../../../templates/plugins/protocol-test.rst