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        "author": "Patrick Fuller",
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            "Development Status :: 4 - Beta",
            "Framework :: IPython",
            "Intended Audience :: Education",
            "License :: OSI Approved :: MIT License",
            "Natural Language :: English",
            "Operating System :: OS Independent",
            "Programming Language :: Python",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.4",
            "Topic :: Education :: Computer Aided Instruction (CAI)",
            "Topic :: Scientific/Engineering :: Bio-Informatics",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Scientific/Engineering :: Visualization"
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        "description": "imolecule\n=========\n\nAn embeddable webGL molecule viewer and file format converter.\nhttp://patrickfuller.github.io/imolecule/\n\nExamples\n========\n\n * [IPython notebook](http://patrickfuller.github.io/imolecule/examples/ipython.html)\n * [metal-organic frameworks](http://patrickfuller.github.io/imolecule/examples/mof.html)\n\nIPython\n=======\n\nThe IPython notebook is an open-source tool poised to replace MATLAB in many\napplications. As a scientist of sorts, I'm all about it. Therefore, I made\nhandles to use imolecule with the notebook. Install through pip:\n\n```\npip install imolecule\n```\n\nOpen a new notebook and test the setup by typing:\n\n```python\nimport imolecule\nimolecule.draw(\"CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C\")\n```\n\ninto a notebook cell. This should convert, optimize and draw the specified\nSMILES structure (in this case, penicillin) into the notebook.\n\nNote that this requires Open Babel to function. If you do not have Open Babel,\nsee below for installation details.\n\nThe drawer can handle any format specified [here](http://openbabel.org/docs/2.3.1/FileFormats/Overview.html),\nand can be set up to better handle different use cases. Check out the docstrings\nassociated with the IPython interface for more.\n\nServer\n======\n\nIf you want to run the file format converter on\nyour own computer, install the library with:\n\n```\npip install imolecule\n```\n\nThen run from the command line with:\n\n```\nimolecule\n````\n\nThe default site allows for loading molecules via a simple file drag-and-drop\ninterface.  Drag a file to anywhere in the browser and drop to load. This\ninterface communicates with openbabel via websocket, so most file formats should\nwork. Be sure to set the extensions of your files to their data type (ie. \"mol\",\n\"pdb\", etc.) for format inference to work properly.\n\nIf you have an existing web server, tornado can be easily switched out for\nother libraries. If you want to use imolecule as a starting point for a\nbroader user interface, the server is written to be extensible. In both cases,\nread through the source code - it's surprisingly short.\n\nJavascript\n==========\n\nStart by downloading the minified javascript file:\n\n```\nwget https://raw.githubusercontent.com/patrickfuller/imolecule/master/imolecule/js/build/imolecule.min.js\n```\n\nInclude this file alongside [jQuery](http://jquery.com/) in your project, and then use with:\n\n```javascript\nimolecule.create('my-selector');\nimolecule.draw(myMolecule);\n```\n\nwhere `'my-selector'` is where you want to place imolecule, and `myMolecule` is\nan object. See below for more on the object structure, or just check out the\nincluded examples. The `imolecule.create()` method takes a few optional parameters,\nspecifying a few common drawing and camera types.\n\n```javascript\noptions = {\n    drawingType: \"ball and stick\", // Can be \"ball and stick\", \"wireframe\", or \"space filling\"\n    cameraType: \"perspective\", // Can be \"perspective\" or \"orthogonal\"\n    shader: \"toon\" // three.js shader to use, can be \"toon\", \"basic\", \"phong\", or \"lambert\"\n};\n```\n\nMolecule Data Format\n====================\n\nAt its core, imolecule takes input chemical structures as javascript objects.\nAs an example, consider benzene:\n\n```javascript\n{\n    atoms: [\n        { element: \"C\", location: [ -0.762160, 1.168557, 0.022754 ] },\n        { element: \"C\", location: [ 0.631044, 1.242862, -0.013022 ] },\n        { element: \"C\", location: [ 1.391783, 0.076397, -0.012244 ] },\n        { element: \"C\", location: [ 0.762101, -1.168506, 0.026080 ] },\n        { element: \"C\", location: [ -0.631044, -1.242903, -0.011791 ] },\n        { element: \"C\", location: [ -1.391806, -0.076430, -0.014083 ] },\n    ],\n    bonds: [\n        { atoms: [ 0, 1 ], order: 2 },\n        { atoms: [ 1, 2 ], order: 1 },\n        { atoms: [ 2, 3 ], order: 2 },\n        { atoms: [ 3, 4 ], order: 1 },\n        { atoms: [ 4, 5 ], order: 2 },\n        { atoms: [ 0, 5 ], order: 1 }\n    ]\n}\n```\n\nIf you want to make properly formatted JSON, you can use either `format_converter.py` as a script or run your own imolecule server to convert most chemical file formats to JSON.\n\nOpen Babel\n==========\n\n[Open Babel](http://openbabel.org/wiki/Main_Page) is an open-source library\nfor interconverting over 100 chemical file formats. imolecule uses Open Babel\nto convert input formats to JSON before drawing. Therefore, to use imolecule\nwith non-JSON formats, you will need Open Babel.\n\nOpen Babel is best installed from source. For more, read through the\n[Open Babel installation instructions](http://openbabel.org/docs/dev/Installation/install.html).\n\n```\ngit clone https://github.com/openbabel/openbabel\nmkdir build && cd build\ncmake ../openbabel -DPYTHON_BINDINGS=ON\nmake && make install\n```\n\nOlder versions of open babel can be found through standard package managers,\nand do support most of the functionality of the development version. If you\nare struggling with building from source, check your package manager for\nopenbabel.\n",
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