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CHANGELOG.md

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The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
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and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
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## [Unreleased]
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### Fixes
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## [0.2.1] - 2018-10-05
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### Added
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- documentation (#4)

docs/install.rst

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Installing
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============
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The package is pure Python you easily install the `MDAnalysisData
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package`_ from the Python Package Index (PyPi) with :program:`pip`:
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The package is pure Python and one can directly install the
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`MDAnalysisData package`_ from the Python Package Index (PyPi) with
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:program:`pip`:
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.. code-block:: bash
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pip install --upgrade MDAnalysisData
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.. note:: The package itself is small and initially does not install
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any datasets. However, the :ref:`data directory
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<managing-data>` where datasets are cached can grow to many
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gigabytes.
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<managing-data>`, where datasets are cached, can grow to
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many gigabytes.
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.. _`MDAnalysisData package`:
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https://pypi.org/project/MDAnalysisData/

docs/usage.rst

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:func:`~MDAnalysisData.adk_equilibrium.fetch_adk_equilibrium`
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function::
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>>> from MDAnalysis import datasets
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>>> from MDAnalysisData import datasets
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>>> adk = datasets.fetch_adk_equilibrium()
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This will download the dataset from figshare (doi:
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`10.6084/m9.figshare.5108170.v1
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<https://doi.org/10.6084/m9.figshare.5108170.v1>`_) and unpack it into
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a cache directory. This means that only the first time, executing
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a cache directory. This means that only the first time executing
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:func:`~MDAnalysisData.adk_equilibrium.fetch_adk_equilibrium` will be
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slow; at later times, the cached files will be used. The the resulting
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slow; at later times, the cached files will be used. The resulting
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:class:`~MDAnalysisData.base.Bunch` object can be introspected for
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what this dataset includes. In particular, it features a
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:attr:`~MDAnalysisData.base.Bunch.DESCR` attribute with a
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human-readable description of the dataset::
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>>> print(adk.DESCR)
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====================================
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AdK equilibrium trajectory dataset
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====================================
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AdK equilibrium trajectory dataset
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==================================
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MD trajectory of apo adenylate kinase with CHARMM27 force field and
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simulated with explicit water and ions in NPT at 300 K and 1
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The topology is contained in the PSF file (CHARMM format). The
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trajectory is contained in the DCD file (CHARMM/NAMD format).
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Notes
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-----
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