hbat 2.2.7__tar.gz → 2.2.7.dev25__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {hbat-2.2.7 → hbat-2.2.7.dev25}/.github/workflows/release.yml +11 -21
- {hbat-2.2.7 → hbat-2.2.7.dev25}/PKG-INFO +1 -1
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/_version.py +2 -2
- {hbat-2.2.7 → hbat-2.2.7.dev25}/.github/workflows/cleanup-prereleases.yml +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/.github/workflows/test.yml +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/CITATION.cff +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/CLAUDE.md +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/CODE_OF_CONDUCT.md +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/CONTRIBUTING.md +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/LICENSE +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/MANIFEST.in +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/Makefile +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/README.md +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/build_standalone.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/build_standalone_linux.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/build_standalone_windows.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/conda/meta.yaml +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/Makefile +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/requirements.txt +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/_static/custom.css +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/_static/light-theme.css +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/ccd/ccd_analyzer.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/ccd/constants_generator.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/ccd/generate_ccd_constants.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/ccd/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/cli/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/app.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/atomic_data.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/misc.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/parameters.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/constants/pdb_constants.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/interactions.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/np_analyzer.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/np_vector.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/pdb_fixer.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/pdb_parser.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/core/structure.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/examples/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/gui/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/utilities/atom_utils.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/api/utilities/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/cli.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/conf.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/development.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/index.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/installation.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/license.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/logic.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/parameters.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/pdbfixing.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/docs/source/quickstart.rst +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/1bhl.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/1gai.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/1ubi.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/2izf.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/4jsv.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/4laz.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/4ub7.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/4x21.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_pdb_files/6rsa.pdb +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/drug_design_strict.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/high_resolution.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/low_resolution.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/membrane_proteins.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/nmr_structures.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/standard_resolution.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/strong_interactions_only.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/example_presets/weak_interactions_permissive.hbat +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/ccd/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/ccd/ccd_analyzer.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/ccd/constants_generator.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/ccd/generate_ccd_constants.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/cli/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/cli/main.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/app.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/atomic_data.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/misc.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/parameters.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/pdb_constants.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/constants/residue_bonds.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/analysis.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/analyzer.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/app_config.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/atom_classifier.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/interactions.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/np_analyzer.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/np_vector.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/pdb_fixer.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/pdb_parser.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/core/structure.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/gui/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/gui/chain_visualization.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/gui/main_window.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/gui/parameter_panel.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/gui/results_panel.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/utilities/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat/utilities/atom_utils.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat.egg-info/SOURCES.txt +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat.icns +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat.ico +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat.png +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat.svg +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat_cli.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/hbat_gui.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/pyproject.toml +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/pytest.ini +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/requirements-dev.txt +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/requirements.txt +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/setup.cfg +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/README.md +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/cli/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/cli/test_cli_main.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/conftest.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/e2e/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/e2e/test_cli_workflows.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/e2e/test_complete_workflows.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/e2e/test_gui_workflows.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/gui/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/gui/test_gui_components.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/integration/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/integration/test_analyzer_components.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/integration/test_cli_integration.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/integration/test_molecular_validation.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/integration/test_pdb_parsing.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/performance/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/performance/test_ccd_performance.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/performance/test_performance_workflows.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/run_tests.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/__init__.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_cli_parsing.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_gui_components.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_interactions.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_parameters.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_structures.py +0 -0
- {hbat-2.2.7 → hbat-2.2.7.dev25}/tests/unit/test_vector_math.py +0 -0
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