:orphan: true

.. _lephar-ledock:

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LeDock Docking
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This protocol performs docking using LeDock. As for the rest of docking programs in Scipion Chem, the docking can be
performed either in the whole structure or on a ``SetOfStructROIs``. Then, the second part of the input is the
``SetOfSmallMolecules`` which will be docked. The docking can be paralelized over the ligands (by default, it is also done
over the ``StructROIs``). Also, an RMSD threshold can be set to automatically discard very similar poses.

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

.. image:: ../../../../_static/images/plugins/lephar/ledock/form.png
   :alt: LePro receptor preparation form
   :height: 400
   :align: center

|

The result of this protocol is a ``SetOfSmallMolecules`` containing the docked ligands onto the protein structure.
These molecules can be visualized clicking on **Analyze Results**, which will open a for to select visualization of the
whole set, individual ``StructROIs``, all poses of a molecule, single molecules or single molecules using PLIP
(checking interactions).

.. |testCommand| replace:: lephar.tests.test_ledock.TestLeDock
.. include:: ../../../templates/plugins/protocol-test.rst