diff --git a/mdakits/sasa/metadata.yaml b/mdakits/sasa/metadata.yaml new file mode 100644 index 00000000..030177dc --- /dev/null +++ b/mdakits/sasa/metadata.yaml @@ -0,0 +1,52 @@ +project_name: mdakit_sasa + +authors: + - https://github.com/pegerto/mdakit_sasa/blob/main/AUTHORS.md + +maintainers: + - pegerto + +description: + This MDAKit allows for the computation of Solvent Accessible Surface Area (SASA) through MDAnalysis, leveraging the essential role of FreeSASA in performing the calculation. + +## List(str): a list of keywords which describe the mdakit +keywords: + - SASA + - FreeSASA + - ShrakeRupley + - LeeRichards + +license: GPL-2.0-or-later +project_home: https://github.com/pegerto/mdakit_sasa/ +documentation_home: https://mdakit-sasa.readthedocs.io/ + +documentation_type: UserGuide + API + +#------------------------------------------------------------ +# Optional entries +#------------------------------------------------------------ +install: + - pip install mdakit-sasa + +src_install: + - pip install git+https://github.com/pegerto/mdakit_sasa@main + +import_name: mdakit_sasa + +python_requires: ">=3.9" +mdanalysis_requires: ">=2.0.0" +run_tests: + - pytest --pyargs mdakit_sasa + +test_dependencies: + - mamba install pytest MDAnalysisTests + +project_org: pegerto +development_status: Production/Stable + +publications: + - https://zenodo.org/doi/10.5281/zenodo.10182425 + - https://f1000research.com/articles/5-189/v1 + +community_home: https://github.com/pegerto/mdakit_sasa/ +changelog: https://github.com/pegerto/mdakit_sasa/blob/main/CHANGELOG.md