Molecular Design Toolkit |version|
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The `Molecular Design Toolkit <http://moldesign.bionano.autodesk.com/>`_ offers access to a large and still-growing set of computational modeling methods with a science-focused Python API. When you
call MDT functions from a Jupyter notebook, you'll also get inline 2D and 3D visualization,
ready-to-plot data structures, and interactive user interfaces. MDT is free, open source, and built for scientific collaboration.


`Try a live demo now. <http://mybinder.org/repo/avirshup/mdt-gallery-test>`_




.. toctree::
   :maxdepth: 2
   :numbered:
   :caption: Getting started

   quickstart
   features
   install


.. toctree::
   :maxdepth: 2
   :numbered:
   :caption: Recipes

   creating_and_converting
   structure
   biomolecule
   geometry
   properties
   dynamics
   visualization


.. toctree::
   :maxdepth: 2
   :numbered:
   :caption: Physical object API

   api/datastructures
   api/molecule
   api/biopolymer
   api/wfn


.. toctree::
   :maxdepth: 1
   :numbered:
   :caption: Simulation and tools API

   _mdt_api/moldesign.geom.rst
   _mdt_api/moldesign.widgets.rst
   _mdt_api/moldesign.tools.rst
   _mdt_api/moldesign.models.rst
   _mdt_api/moldesign.integrators.rst
   _mdt_api/moldesign.data.rst




* :ref:`Alphabetical index <genindex>`
* :ref:`Search <search>`