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Analysis Database\n==============================\n[//]: # (Badges)\n\n| **Latest release** | [![Last release tag][badge_release]][url_latest_release] ![GitHub commits since latest release (by date) for a branch][badge_commits_since]  [![Documentation Status][badge_docs]][url_docs]|\n| :----------------- | :------- |\n| **Status**         | [![GH Actions Status][badge_actions]][url_actions] [![codecov][badge_codecov]][url_codecov] |\n| **Community**      | [![License: GPL v2][badge_license]][url_license]  [![Powered by MDAnalysis][badge_mda]][url_mda]|\n\n[badge_actions]: https://github.com/BecksteinLab/mdaadb-kit/actions/workflows/gh-ci.yaml/badge.svg\n[badge_codecov]: https://codecov.io/gh/BecksteinLab/mdaadb-kit/branch/main/graph/badge.svg\n[badge_commits_since]: https://img.shields.io/github/commits-since/BecksteinLab/mdaadb-kit/latest\n[badge_docs]: https://readthedocs.org/projects/mdaadb-kit/badge/?version=latest\n[badge_license]: 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https://img.shields.io/github/release-pre/BecksteinLab/mdaadb-kit.svg\n[url_actions]: https://github.com/BecksteinLab/mdaadb-kit/actions?query=branch%3Amain+workflow%3Agh-ci\n[url_codecov]: https://codecov.io/gh/BecksteinLab/mdaadb-kit/branch/main\n[url_docs]: https://mdaadb-kit.readthedocs.io/en/latest/?badge=latest\n[url_latest_release]: https://github.com/BecksteinLab/mdaadb-kit/releases\n[url_license]: https://www.gnu.org/licenses/gpl-2.0\n[url_mda]: https://www.mdanalysis.org\n\nA package that interfaces SQLite database IO with MDAnalysis analysis results.\n\nMDAnalysis Analysis Database is bound by a [Code of Conduct](https://github.com/BecksteinLab/mdaadb-kit/blob/main/CODE_OF_CONDUCT.md).\n\n### Installation\n\nTo build MDAnalysis Analysis Database from source,\nwe highly recommend using virtual environments.\nIf possible, we strongly recommend that you use\n[Anaconda](https://docs.conda.io/en/latest/) as your package manager.\nBelow we provide instructions both for `conda` and\nfor `pip`.\n\n#### With conda\n\nEnsure that you have [conda](https://docs.conda.io/projects/conda/en/latest/user-guide/install/index.html) installed.\n\nCreate a virtual environment and activate it:\n\n```\nconda create --name mdaadb-kit\nconda activate mdaadb-kit\n```\n\nInstall the development and documentation dependencies:\n\n```\nconda env update --name mdaadb-kit --file devtools/conda-envs/test_env.yaml\nconda env update --name mdaadb-kit --file docs/requirements.yaml\n```\n\nBuild this package from source:\n\n```\npip install -e .\n```\n\nIf you want to update your dependencies (which can be risky!), run:\n\n```\nconda update --all\n```\n\nAnd when you are finished, you can exit the virtual environment with:\n\n```\nconda deactivate\n```\n\n#### With pip\n\nTo build the package from source, run:\n\n```\npip install .\n```\n\nIf you want to create a development environment, install\nthe dependencies required for tests and docs with:\n\n```\npip install \".[test,doc]\"\n```\n\n### Copyright\n\nThe MDAnalysis Analysis Database source code is hosted at https://github.com/BecksteinLab/mdaadb-kit\nand is available under the GNU General Public License, version 2 (see the file [LICENSE](https://github.com/BecksteinLab/mdaadb-kit/blob/main/LICENSE)).\n\nCopyright (c) 2024, Edis Jakupovic\n\n\n#### Acknowledgements\n \nProject based on the \n[MDAnalysis Cookiecutter](https://github.com/MDAnalysis/cookiecutter-mda) version 0.1.\nPlease cite [MDAnalysis](https://github.com/MDAnalysis/mdanalysis#citation) when using MDAnalysis Analysis Database in published work.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdaadb","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fbecksteinlab%2Fmdaadb","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbecksteinlab%2Fmdaadb/lists"}