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    "info": {
        "author": "Guillaume Fraux",
        "author_email": "luthaf@luthaf.fr",
        "bugtrack_url": null,
        "classifiers": [
            "Development Status :: 4 - Beta",
            "Environment :: Console",
            "Intended Audience :: Developers",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: BSD License",
            "Operating System :: MacOS :: MacOS X",
            "Operating System :: Microsoft :: Windows",
            "Operating System :: Unix",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 3",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Software Development :: Libraries :: Python Modules",
            "Topic :: Utilities"
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        "description": "# Python binding for the chemfiles library\n\n\nChemfiles is a library for reading and writing molecular trajectory files. These\nfiles are created by your favorite theoretical chemistry program, and contains\ninformation about atomic or residues names and positions. Chemfiles offers\nabstraction on top of these formats, and a consistent interface for loading and\nsaving data to these files.\n\nThis repository contains the Python binding for the chemfiles library. This\nbinding is created with the ctypes module, calling directly the C interface of\nchemfiles, and thus is compatible with Python 2 and 3, and with all versions of\nNumpy.\n\n## Installation\n\nYou can use your favorite package manager ([`conda`] or [`pip`]) to install\npre-built versions of Chemfiles, that support Linux/Windows/macOS, and Python\n2.7 and 3.\n\n```\n# Using pip\npip install chemfiles\n# Using conda\nconda install -c conda-forge chemfiles\n```\n\n[`conda`]: http://conda.pydata.org/docs/\n[`pip`]: https://docs.python.org/3.5/installing/index.html\n\n### Source compilation\n\nYou can install this python module from sources if you have all the\n[dependencies] of the C++ chemfiles library installed on your computer.\n\n```bash\n# To get the latest development version:\ngit clone https://github.com/chemfiles/chemfiles.py\ncd chemfiles.py\ngit submodule update --init\n# Install development dependencies\npip install -r dev-requirements.txt\n# Install chemfiles\npip install .\n# Optionally run the test suite\ntox\n```\n\n[dependencies]: http://chemfiles.readthedocs.org/en/latest/installation.html\n\n## Usage example\n\nHere is a simple usage example for the `chemfiles` module. Please see the\n`examples` folder for other examples.\n\n```python\nfrom chemfiles import Trajectory, Frame\n\ntrajectory = Trajectory(\"filename.xyz\")\nframe = trajectory.read()\n\nprint(\"There are {} atoms in the frame\".format(frame.natoms()))\npositions = frame.positions()\n\n# Do awesome things with the positions here !\n```\n\n## Bug reports, feature requests\n\nPlease report any bug you find and any feature you may want as a [github\nissue](https://github.com/chemfiles/chemfiles.py/issues/new).\n\n\n",
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        "keywords": "chemistry computational cheminformatics files formats",
        "license": "",
        "maintainer": "",
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        "name": "chemfiles",
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