API Reference
=============

This page contains the complete API reference for the DOCKTOPUS package.

Main Classes
------------

Docking
~~~~~~~

.. automodule:: docktopus.docking
   :members:
   :undoc-members:
   :show-inheritance:

DataPreprocessor
~~~~~~~~~~~~~~~

.. automodule:: docktopus.preprocessor
   :members:
   :undoc-members:
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Docking Engines
---------------

GNINA Engine
~~~~~~~~~~~

.. automodule:: docktopus.gnina_engine
   :members:
   :undoc-members:
   :show-inheritance:

Vina Engine
~~~~~~~~~~

.. automodule:: docktopus.vina_engine
   :members:
   :undoc-members:
   :show-inheritance:

GalaxyDock2 HEME Engine
~~~~~~~~~~~~~~~~~~~~~~

.. automodule:: docktopus.gdock_engine
   :members:
   :undoc-members:
   :show-inheritance:

RFAA Engine
~~~~~~~~~~

.. automodule:: docktopus.rfaa_engine
   :members:
   :undoc-members:
   :show-inheritance:

Validation
----------

RFAA Validator
~~~~~~~~~~~~~

.. automodule:: docktopus.validator
   :members:
   :undoc-members:
   :show-inheritance: 

Analyser
~~~~~~~~~~~~~

.. automodule:: docktopus.analyser
   :members:
   :undoc-members:
   :show-inheritance: