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        "author": "David Dotson",
        "author_email": "dotsdl@gmail.com",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 3 - Alpha",
            "Environment :: Console",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: GNU General Public License v2 (GPLv2)",
            "Operating System :: POSIX",
            "Programming Language :: Python",
            "Topic :: Scientific/Engineering",
            "Topic :: Software Development :: Libraries :: Python Modules"
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        "description": "=============================================================\nMDSynthesis: a persistence engine for molecular dynamics data\n=============================================================\n\n|zen| |docs| |build| |cov|\n\nAs computing power increases, it is now possible to produce hundreds of\nmolecular dynamics simulation trajectories that vary widely in length,\nsystem size, composition, starting conditions, and other parameters. Managing\nthis complexity in ways that allow use of the data to answer scientific\nquestions has itself become a bottleneck. MDSynthesis is an answer to this\nproblem.\n\nBuilt on top of `datreant`_, MDSynthesis gives a Pythonic interface to\nmolecular dynamics trajectories using `MDAnalysis`_, giving the ability to work\nwith the data from many simulations scattered throughout the filesystem\nwith ease. It makes it possible to write analysis code that can work across\nmany varieties of simulation, but even more importantly, MDSynthesis allows\ninteractive work with the results from hundreds of simulations at once without\nmuch effort. \n\nEfficiently store intermediate data from individual simulations for easy recall\n-------------------------------------------------------------------------------\nThe MDSynthesis **Sim** object gives an interface to raw simulation data\nthrough `MDAnalysis`_. Data structures generated from raw trajectories (pandas\nobjects, numpy arrays, or any pure python structure) can then be stored and\neasily recalled later. Under the hood, datasets are stored in the efficient\nHDF5 format when possible.\n\n.. _MDAnalysis: http://www.mdanalysis.org\n\nPowered by ``datreant`` under the hood\n--------------------------------------\nMDSynthesis is built on top of the general-purpose `datreant`_ library.  The\nSim is a `Treant`_ with special features for working with molecular dynamics\ndata, but every feature of datreant applies to MDSynthesis.\n\n.. _Treant: http://datreant.readthedocs.org/en/latest/treants.html\n\nDocumentation\n=============\nA brief user guide is available on `Read the Docs\n<http://mdsynthesis.readthedocs.org/>`__.\n\nContributing\n============\nThis project is still under heavy development, and there are certainly rough\nedges and bugs. Issues and pull requests welcome!\n\nMDSynthesis follows the development model of `datreant`_; see the\n`contributor's guide`_ to learn how to get started with contributing back.\n\n.. _datreant: http://datreant.readthedocs.org/\n.. _`contributor's guide`: http://datreant.readthedocs.org/en/latest/contributing.html\n\n.. |docs| image:: https://readthedocs.org/projects/mdsynthesis/badge/?version=develop\n    :alt: Documentation Status\n    :scale: 100%\n    :target: https://readthedocs.org/projects/mdsynthesis\n\n.. |build| image:: https://travis-ci.org/datreant/MDSynthesis.svg?branch=develop\n    :alt: Build Status\n    :target: https://travis-ci.org/datreant/MDSynthesis\n\n.. |cov| image:: http://codecov.io/github/datreant/MDSynthesis/coverage.svg?branch=develop\n    :alt: Code Coverage\n    :scale: 100%\n    :target: http://codecov.io/github/datreant/MDSynthesis?branch=develop\n\n.. |zen| image:: https://zenodo.org/badge/13742/datreant/MDSynthesis.svg\n    :alt: Citation\n    :target: https://zenodo.org/badge/latestdoi/13742/datreant/MDSynthesis",
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        "license": "GPL 2",
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        "name": "mdsynthesis",
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