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**PyOrbb** is an orbital interaction analysis tool and Python library enabling expert and non-expert users to perform high quality canonical MO analyses. This is the documentation website for both the Python library provided by PyOrbb and the graphical user interface.

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    .. grid-item-card:: Installation
      :link: installation.html

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      Installation guide for PyOrbb.

    .. grid-item-card:: Main Publication
      :link: https://onlinelibrary.wiley.com/doi/10.1002/jcc.70512

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      Read the accompanying PyOrbb publication.

    .. grid-item-card:: PyOrbb GitHub Repository
      :link: https://github.com/TheoChem-VU/PyOrbb

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      Visit the open source PyOrbb GitHub repository.

    .. grid-item-card:: Problems?
      :link: https://github.com/TheoChem-VU/TCMU/issues/new

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      Open an issue for the developers.

    .. grid-item-card:: TheoCheM
      :link: https://www.theochem.nl/

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      Learn about our research group!

      

Learn about PyOrbb
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    .. grid-item-card:: Getting Started
      :link: get_started.html

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      Get started with using the PyOrbb program.

    .. grid-item-card:: Warnings and Errors
      :link: notices.html

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      An overview of warnings and errors provided by PyOrbb.

    .. grid-item-card:: Examples
      :link: GUI_examples/index.html

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      Example PyOrbb analyses.


PyOrbb Python library
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Learn how to use PyOrbb's Python library to perform custom orbital analyses for your projects.


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    .. grid-item-card:: Basic API Usage
      :link: basic_usage.html

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      Get a quick overview of the basic functionalities of the PyOrbb Python API.

    .. grid-item-card:: Full API
      :link: api/pyorbb.html

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      The full Python API of PyOrbb can be found here.

    .. grid-item-card:: Examples
      :link: examples/index.html

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      Examples showcasing the usage of the PyOrbb Python API.

    .. grid-item-card:: Command-line Tools
      :link: cli.html

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      An overview of the main command-line tools provided by PyOrbb.




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    installation.rst
    application.rst
    python_library.rst