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        "description": "# ExTASY Wrappers #\n\nA library to simplify the construction of ExTASY simulation-analysis workflows.\n\n### What is this repository for? ###\n\n* *ExTASY wrappers* provide a consistent API for launching command line applications (such as MD simulations or simulation analysis jobs) from python scripts. Though designed originally with ExTASY simulation-analysis workflows in mind, they are extensible to many other possible applications. \n\nIn a nutshell, the construction and execution of a complete simulation or analysis job is reduced to a python function call of the form:\n```\n#!python\nresults = kernel.run(inputs)\n```\nwhere \"kernel\" might be pmemd, grompp, pyCoCo, LSDMap, etc.\n\nSee the Wiki for more details.\n\n* Version 0.0.1\n\n### How do I get set up? ###\n\n* Clone the repository and then run setup.py:\n```\ngit clone https://bitbucket.org/extasy-project/wrappers.git\ncd wrappers\npython setup.py install --user\n```\n\n* Dependencies: *ExTASY wrappers* itself has no dependencies outside the standard python libraries. To run the examples though will require:\n\n1. An MD code: Amber (or Ambertools) and/or GROMACS\n2. A sampling analysis package: [ExTASY CoCo](https://bitbucket.org/extasy-project/coco) and/or [ExTASY-compliant LSDMap](https://github.com/ClementiGroup/LSDMap)\n\nRunning the parallel examples will additionally require:\n[Dask](https://github.com/blaze/dask) and/or [mpipool](https://github.com/adrn/mpipool/tree/master/mpipool)\n\n* How to run tests: See the README files in the folders under ./examples.\n\n\n### Who do I talk to? ###\n\n* Charlie Laughton",
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