26a5ab042e
- use autosummary (with custom module template) - updated module docs for all modules so that they are included with sphinx autodocs
91 lines
1.9 KiB
ReStructuredText
91 lines
1.9 KiB
ReStructuredText
.. -*- coding: utf-8 -*-
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.. PROPKA 3 documentation master file, created by
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sphinx-quickstart on Fri Jun 19 11:12:18 2020.
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You can adapt this file completely to your liking, but it should at least
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contain the root `toctree` directive.
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.. |pKa| replace:: :math:`\text{p}K_\text{a}`
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====================================
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PROPKA 3: Heuristic |pKa| prediction
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====================================
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:Release: |release|
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:Date: |today|
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PROPKA 3 predicts the |pKa| values of ionizable groups in proteins
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[Sondergaard2011]_ and protein-ligand complexes based on the 3D
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structure [Olsson2011]_.
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This package installs the :program:`propka3` command and the
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:mod:`propka` Python package.
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License and source code
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=======================
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PROPKA 3 is released under the `GNU Lesser General Public License v2.1`_ (see the
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files *LICENSE* in the repository for details).
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Source code is available in the public GitHub repository
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https://github.com/jensengroup/propka.
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Getting help
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============
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Please report *bugs and feature requests* for PROPKA through the
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`Issue Tracker`_.
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Contributing
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============
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PROPKA welcomes new contributions. To contribute code, submit a *pull
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request* against the master branch in the `propka repository`_.
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Citation
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========
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If you use PROPKA 3 in published work please cite [Sondergaard2011]_ and [Olsson2011]_.
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Indices and tables
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==================
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* :ref:`genindex`
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* :ref:`modindex`
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* :ref:`search`
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.. links
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.. _`GNU Lesser General Public License v2.1`:
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https://www.gnu.org/licenses/old-licenses/lgpl-2.1.en.html
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.. _propka repository: https://github.com/jensengroup/propka
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.. _issue tracker: https://github.com/jensengroup/propka/issues
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.. Hide the contents from the front page because they are already in
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.. the side bar in the rtd sphinx style
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.. Contents
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.. ========
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.. toctree::
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:maxdepth: 3
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:numbered:
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:hidden:
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installation
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quickstart
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api
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references
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