├── .coveragerc ├── .gitattributes ├── .github └── workflows │ ├── deploy.yaml │ ├── docs.yaml │ └── gh-ci.yaml ├── .gitignore ├── .readthedocs.yml ├── AUTHORS ├── CHANGELOG ├── COPYING ├── COPYING.LESSER ├── INSTALL ├── MAINTAINER.md ├── MANIFEST.in ├── README.rst ├── ci ├── environment.yaml └── requirements.txt ├── doc ├── Makefile └── source │ ├── _static │ └── logos │ │ ├── AUTHOR │ │ ├── mdanalysis-griddataformats-logo.pdf │ │ └── mdanalysis-griddataformats-logo.png │ ├── conf.py │ ├── gridData │ ├── basic.rst │ ├── core.rst │ ├── formats.rst │ ├── formats │ │ ├── OpenDX.rst │ │ ├── gOpenMol.rst │ │ └── mrc.rst │ └── overview.rst │ ├── index.rst │ └── installation.rst ├── examples └── extractISOPdb │ ├── extractISOPdb.py │ ├── extractISOPdb_gdf.py │ ├── how │ └── mdpout_freq_grid.dx ├── gridData ├── OpenDX.py ├── __init__.py ├── core.py ├── gOpenMol.py ├── mrc.py └── tests │ ├── __init__.py │ ├── datafiles │ ├── 1jzv.ccp4 │ ├── EMD-3001.map.bz2 │ ├── __init__.py │ ├── nAChR_M2_water.plt │ ├── test.ccp4 │ ├── test.dx │ └── test.dx.gz │ ├── test_dx.py │ ├── test_gOpenMol.py │ ├── test_grid.py │ └── test_mrc.py └── pyproject.toml /.coveragerc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MDAnalysis/GridDataFormats/HEAD/.coveragerc -------------------------------------------------------------------------------- /.gitattributes: -------------------------------------------------------------------------------- 1 | gridData/_version.py export-subst 2 | -------------------------------------------------------------------------------- /.github/workflows/deploy.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MDAnalysis/GridDataFormats/HEAD/.github/workflows/deploy.yaml -------------------------------------------------------------------------------- /.github/workflows/docs.yaml: 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