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3 changes: 2 additions & 1 deletion package/AUTHORS
Original file line number Diff line number Diff line change
Expand Up @@ -247,7 +247,8 @@ Chronological list of authors
- Jia-Xin Zhu
- Tanish Yelgoe
2025
- Joshua Raphael Uy
- Joshua Raphael Uy
- Namir Oues

External code
-------------
Expand Down
122 changes: 26 additions & 96 deletions package/doc/sphinx/source/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -22,13 +22,13 @@ most of these formats, too, together with atom selections for use in
Gromacs_, CHARMM_, VMD_ and PyMol_ (see :ref:`Selection exporters`).

It allows one to read molecular dynamics trajectories and access the
atomic coordinates through NumPy_ arrays. This provides a flexible and
atomic coordinates through `NumPy`_ arrays. This provides a flexible and
relatively fast framework for complex analysis tasks. Fairly complete
atom :ref:`selection-commands-label` are implemented. Trajectories can
also be manipulated (for instance, fit to a reference structure) and
written out in a range of formats.

.. _`www.mdanalysis.org`: https://www.mdanalysis.org
.. _www.mdanalysis.org: https://www.mdanalysis.org
.. _NumPy: https://numpy.org/
.. _CHARMM: http://www.charmm.org/
.. _Amber: http://ambermd.org/
Expand All @@ -48,100 +48,34 @@ Getting involved
Please report **bugs** or **enhancement requests** through the `Issue
Tracker`_. Questions can also be asked on the `GitHub Discussions`_.

The MDAnalysis community subscribes to a `Code of Conduct`_ that all community
members agree and adhere to --- please read it.
The MDAnalysis community follows a `Code of Conduct`_ that all members are expected to adhere to.
Please take a moment to read it.

.. _Issue Tracker: https://github.com/MDAnalysis/mdanalysis/issues
.. _`GitHub Discussions`:
https://github.com/MDAnalysis/mdanalysis/discussions
.. _`Code of Conduct`: https://www.mdanalysis.org/pages/conduct/
.. _GitHub Discussions: https://github.com/MDAnalysis/mdanalysis/discussions
.. _Code of Conduct: https://www.mdanalysis.org/pages/conduct/


.. _installation-instructions:

User Guide
==========
Installing and using MDAnalysis
===============================

The MDAnalysis `User Guide`_ provides comprehensive information on how to
use the library. We would recommend that new users have a look at the
The MDAnalysis `User Guide`_ provides comprehensive information on how to `install`_
and use the library. We would recommend that new users have a look at the
`Quick Start Guide`_. The User Guide also has a set of `examples`_ on how to
use the MDAnalysis library which may be of interest.

.. _`User Guide`: https://userguide.mdanalysis.org/stable/index.html
.. _`Quick Start Guide`: https://userguide.mdanalysis.org/stable/examples/quickstart.html
.. _`examples`: https://userguide.mdanalysis.org/stable/examples/README.html


.. _installation-instructions:

Installing MDAnalysis
=====================

The easiest approach to `install the latest release`_ is to use a package that
can be installed either with conda_ or pip_.

conda
-----

First installation with conda_:

.. code-block:: bash

conda config --add channels conda-forge
conda install mdanalysis

which will automatically install a *full set of dependencies*.

To upgrade later:

.. code-block:: bash

conda update mdanalysis

pip
---

Installation with `pip`_ and a *minimal set of dependencies*:
.. _User Guide: https://userguide.mdanalysis.org/stable/index.html
.. _Quick Start Guide: https://userguide.mdanalysis.org/stable/examples/quickstart.html
.. _examples: https://userguide.mdanalysis.org/stable/examples/README.html
.. _install: https://userguide.mdanalysis.org/stable/installation.html

.. code-block:: bash

pip install --upgrade MDAnalysis

To install with a *full set of dependencies* (which includes everything needed
for :mod:`MDAnalysis.analysis`), add the ``[analysis]`` tag:

.. code-block:: bash

pip install --upgrade MDAnalysis[analysis]


Tests
-----

If you want to `run the tests`_ or use example files to follow some of the
examples in the documentation or the tutorials_, also install the
``MDAnalysisTests`` package:

.. code-block:: bash

conda install mdanalysistests # with conda
pip install --upgrade MDAnalysisTests # with pip

.. _install the latest release:
https://userguide.mdanalysis.org/stable/installation.html#installation
.. _pip:
http://www.pip-installer.org/en/latest/index.html
.. _conda:
http://conda.pydata.org/docs/
.. _run the tests: https://github.com/MDAnalysis/mdanalysis/wiki/UnitTests
.. _tutorials: https://www.mdanalysis.org/pages/learning_MDAnalysis/


Source Code
Source code
===========

**Source code** is available from
https://github.com/MDAnalysis/mdanalysis/ and is packaged under the
`Lesser GNU Public Licence, version 3 or any later version`_. Individual components
The MDAnalysis source code is available on https://github.com/MDAnalysis/mdanalysis/ and is
distributed under the `Lesser GNU Public Licence, version 3 or any later version`_. Individual components
of the source code are provided under LGPL compatible licenses, details can be
found in the `MDAnalysis license file`_. Obtain the sources with `git`_.

Expand All @@ -151,14 +85,12 @@ found in the `MDAnalysis license file`_. Obtain the sources with `git`_.


The `User Guide`_ provides more information on how to
`install the development version`_ of MDAnalysis.
`install from source`_.

.. _Lesser GNU Public Licence, version 3 or any later version:
https://www.gnu.org/licenses/lgpl-3.0.en.html
.. _MDAnalysis license file:
https://github.com/MDAnalysis/mdanalysis/blob/develop/LICENSE
.. _Lesser GNU Public Licence, version 3 or any later version: https://www.gnu.org/licenses/lgpl-3.0.en.html
.. _MDAnalysis license file: https://github.com/MDAnalysis/mdanalysis/blob/develop/LICENSE
.. _git: https://git-scm.com/
.. _`install the development version`: https://userguide.mdanalysis.org/stable/installation.html#development-versions
.. _install from source: https://userguide.mdanalysis.org/stable/installation.html


Citation
Expand All @@ -167,14 +99,11 @@ Citation
When using MDAnalysis in published work, please cite
[Michaud-Agrawal2011]_ and [Gowers2016]_.

MDAnalysis also contains specific algorithms and whole analysis
modules whose algorithms have also been published in the scientific
literature. Please make sure to also reference any
:ref:`references-components` in published work.
MDAnalysis includes specific algorithms and analysis modules, some of which have been published in the scientific literature.
Please ensure you cite the relevant :ref:`references-components` when using these features in your research.

Thank you!


.. Hide the contents from the front page because they are already in
.. the side bar in the Alabaster sphinx style; requires Alabaster
.. config sidebar_includehidden=True (default)
Expand All @@ -185,7 +114,7 @@ Thank you!
.. toctree::
:maxdepth: 4
:caption: Documentation
:numbered:
:numbered:
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extra space, delete

:hidden:

./documentation_pages/overview
Expand Down Expand Up @@ -214,3 +143,4 @@ Indices and tables
* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`

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