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lines changed Original file line number Diff line number Diff line change 1+ # MDAKit metadata for packing_defect
2+ # See https://mdakits.mdanalysis.org/registering_a_kit/metadata-yaml.html
3+
4+ project_name : packing_defect
5+
6+ authors :
7+ - R. Jay Braun Jr.
8+
9+ maintainers :
10+ - jaybraunjr
11+
12+ description : >-
13+ Analyze membrane packing defects from MD trajectories using grid-based
14+ stamping, leaflet classification, and connected-component clustering.
15+ Quantify protein-membrane interactions and contains options for visualization.
16+
17+
18+ keywords :
19+ - MDAnalysis
20+ - membrane
21+ - protein
22+ - packing defects
23+ - lipids
24+ - molecular dynamics
25+
26+ license : GPL-2.0-only
27+
28+ project_home : https://github.com/jaybraunjr/packing_defect
29+
30+ documentation_home : https://packing-defect.readthedocs.io
31+
32+ documentation_type : UserGuide + API
33+
34+ src_install :
35+ - pip install git+https://github.com/jaybraunjr/packing_defect@main
36+
37+ import_name : packing_defect
38+
39+ python_requires : " >=3.9"
40+
41+ mdanalysis_requires : " >=2.0.0"
42+
43+ run_tests :
44+ - git clone latest
45+ - pytest -v packing_defect/tests
46+
47+ test_dependencies :
48+ - mamba install -y -c conda-forge pytest MDAnalysis MDAnalysisTests
49+
50+ project_org : jaybraunjr
51+
52+ # Optional entries (uncomment and adjust when applicable)
53+ # install:
54+ # - pip install packing_defect
55+ # development_status: Beta
56+ # publications:
57+ # - https://doi.org/...
58+ # community_home: https://github.com/jaybraunjr/packing_defect/discussions
59+ # changelog: https://github.com/jaybraunjr/packing_defect/blob/main/CHANGELOG.md
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