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        "author": "Pierre Millard, Baudoin Del\u00e9pine, Matthieu Guionnet",
        "author_email": "millard@insa-toulouse.fr",
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            "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
            "Operating System :: OS Independent",
            "Programming Language :: Python :: 3.5",
            "Programming Language :: Python :: 3.6",
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        "description": "# IsoCor - **Iso**tope **Cor**rection for mass spectrometry labeling experiments\n\n[![PyPI version](https://badge.fury.io/py/IsoCor.svg)](https://badge.fury.io/py/IsoCor)\n[![PyPI pyversions](https://img.shields.io/pypi/pyversions/isocor.svg)](https://pypi.python.org/pypi/isocor/)\n[![Build Status](https://travis-ci.com/MetaSys-LISBP/IsoCor.svg?branch=master)](https://travis-ci.com/MetaSys-LISBP/IsoCor)\n[![Documentation Status](https://readthedocs.org/projects/isocor/badge/?version=latest)](http://isocor.readthedocs.io/?badge=latest)\n\n[![IsoCor graphical user interface](https://raw.githubusercontent.com/MetaSys-LISBP/IsoCor/master/doc/_static/isocor_GUI.png)](https://isocor.readthedocs.io/en/latest/)\n\n\n## What is IsoCor?\n**IsoCor is a scientific software dedicated to the correction of mass spectrometry (MS) data for naturally\noccuring isotopes**.\nIsoCor corrects raw MS data (mass fractions) for\nnaturally-occurring isotopes of all elements and purity of the\nisotopic tracer.\nThe output of IsoCor is the isotopologue distribution of the molecule\n(i.e. the relative fractions of molecular entities differing only in the number\nof isotopic substitutions of the tracer). IsoCor also calculates\nthe mean enrichment (i.e. the mean isotopic content in the molecule) in metabolites.\n\nIt is one of the routine tools that we use at the [MetaSys team](http://www.lisbp.fr/en/research/molecular-physiology-and-metabolism/metasys.html) and [MetaToul platform](http://www.metatoul.fr) in isotopic studies of metabolic systems.\n\nThe code is open-source, and available under a GPLv3 license. Additional information can be found in [IsoCor publication](https://doi.org/10.1093/bioinformatics/btz209).\n\nDetailed documentation can be found online at Read the Docs ([https://isocor.readthedocs.io/](https://isocor.readthedocs.io/)).\nCheck out the [Tutorials](https://isocor.readthedocs.io/en/latest/tutorials.html) to use the best correction option!\n\n## Key features\n* **correction of naturally occuring isotopes**, both for non-tracer and tracer elements,\n* **correction of tracer purity**,\n* shipped as a library with both a **graphical and command line interface**,\n* mass-spectrometer and resolution agnostic,\n* can be applied to singly- and multiply-charged ions\n* can be used with any tracer element (having two or more isotopes)\n* account for the contribution of derivatization steps (if any),\n* open-source, free and easy to install everywhere where Python 3 and pip run,\n* biologist-friendly.\n\n## Quick-start\nIsoCor requires Python 3.5 or higher and run on all plate-forms.\nPlease check [the documentation](https://isocor.readthedocs.io/en/latest/quickstart.html) for complete\ninstallation and usage instructions.\n\nUse `pip` to **install IsoCor from PyPi**:\n\n```bash\n$ pip install isocor\n```\n\nThen, start the graphical interface with:\n\n```bash\n$ isocor\n```\n\nIsoCor is also available directly from command-line and as a Python library.\n\n## Bug and feature requests\nIf you have an idea on how we could improve IsoCor please submit a new *issue*\nto [our GitHub issue tracker](https://github.com/MetaSys-LISBP/IsoCor/issues).\n\n\n## Developers guide\n### Contributions\nContributions are very welcome! :heart:\n\nPlease work on your own fork,\nfollow [PEP8](https://www.python.org/dev/peps/pep-0008/) style guide,\nand make sure you pass all the tests before a pull request.\n\n### Local install with pip\nIn development mode, do a `pip install -e /path/to/IsoCor` to install\nlocally the development version.\n\n### Unit tests\nIsotope correction is a complex task and we use unit tests to make sure\nthat critical features are not compromised during development.\n\nYou can run all tests by calling `pytest` in the shell at project's root directory.\n\n### Build the documentation locally\nBuild the HTML documentation with:\n\n```bash\n$ cd doc\n$ make html\n```\n\nThe PDF documentation can be built locally by replacing `html` by `latexpdf`\nin the command above. You will need a recent latex installation.\n\n## How to cite\nMillard P., Del\u00e9pine B., Guionnet M., Heuillet M., Bellvert F. and Letisse F. IsoCor: isotope correction for high-resolution MS labeling experiments. Bioinformatics, 2019, [doi: 10.1093/bioinformatics/btz209](https://doi.org/10.1093/bioinformatics/btz209)\n\n## Authors\nBaudoin Del\u00e9pine, Matthieu Guionnet, Pierre Millard\n\n## Contact\n:email: Pierre Millard, millard@insa-toulouse.fr\n\n\n",
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