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jaybraunjrjaybraunjrorbeckst
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Add packing defect (#300)
* Register packing_defect MDAKit: add metadata.yaml --------- Co-authored-by: jaybraunjr <[email protected]> Co-authored-by: Oliver Beckstein <[email protected]>
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# MDAKit metadata for packing_defect
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# See https://mdakits.mdanalysis.org/registering_a_kit/metadata-yaml.html
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project_name: packing_defect
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authors:
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- R. Jay Braun Jr.
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maintainers:
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- jaybraunjr
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description: >-
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Analyze membrane packing defects from MD trajectories using grid-based
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stamping, leaflet classification, and connected-component clustering.
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Quantify protein-membrane interactions and contains options for visualization.
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keywords:
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- MDAnalysis
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- membrane
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- protein
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- packing defects
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- lipids
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- molecular dynamics
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license: GPL-2.0-only
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project_home: https://github.com/jaybraunjr/packing_defect
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documentation_home: https://packing-defect.readthedocs.io
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documentation_type: UserGuide + API
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src_install:
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- pip install git+https://github.com/jaybraunjr/packing_defect@main
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import_name: packing_defect
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python_requires: ">=3.9"
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mdanalysis_requires: ">=2.0.0"
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run_tests:
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- git clone latest
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- pytest -v packing_defect/tests
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test_dependencies:
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- mamba install -y -c conda-forge pytest MDAnalysis MDAnalysisTests
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project_org: jaybraunjr
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# Optional entries (uncomment and adjust when applicable)
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# install:
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# - pip install packing_defect
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# development_status: Beta
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# publications:
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# - https://doi.org/...
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# community_home: https://github.com/jaybraunjr/packing_defect/discussions
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# changelog: https://github.com/jaybraunjr/packing_defect/blob/main/CHANGELOG.md

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