Welcome to ChemParse's documentation!
=====================================

.. image:: ../image/README/logo.png
   :align: center

ChemParse is a Python package designed for extracting data from ORCA `.out` files. It facilitates not only the extraction of data using predefined patterns but also enables users to create custom extraction patterns. This flexibility ensures compatibility across different ORCA versions and prevents data extraction errors.

Key Features
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- **Data Extraction**: Efficiently extract data from ORCA output files.
- **Custom Extraction Patterns**: Create user-defined patterns for extracting data from new or unique output blocks.
- **Interactive HTML Outputs**: Convert `.out` files into interactive HTML documents with marked data blocks.
- **Shell Scripting Support**: Extract data directly from the command line, offering seamless integration into workflows.

Contents
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.. toctree::
   :maxdepth: 1

   installation
   usage
   scripts
   html
   contributing
   pychemparse

.. Indices and tables
.. ==================

.. * :ref:`genindex`
.. * :ref:`modindex`
.. * :ref:`search`