├── .appveyor.yml ├── .codecov.yml ├── .github └── workflows │ ├── codeql-analysis.yml │ ├── linter.yml │ └── testpy.yml ├── .gitignore ├── .pylintrc ├── .readthedocs.yaml ├── CITATION.cff ├── ChangeLog.rst ├── LICENSE ├── MANIFEST.in ├── README.md ├── docs ├── Makefile ├── alignment.rst ├── associated.rst ├── changes.rst ├── conf.py ├── data.rst ├── descriptor.rst ├── dumper.rst ├── index.rst ├── introduction.rst ├── limitations.rst ├── main.rst ├── make.bat ├── model.rst ├── protocol.rst ├── qa_metric.rst ├── reader.rst ├── reference.rst ├── requirements.txt └── usage.rst ├── examples ├── README.md ├── associated.py ├── convert_bcif.py ├── input │ └── ligands.cif ├── ligands.py ├── mkmodbase.py ├── validate_mmcif.py └── validate_modbase.py ├── make-release.sh ├── modelcif ├── __init__.py ├── alignment.py ├── associated.py ├── data.py ├── descriptor.py ├── dumper.py ├── model.py ├── protocol.py ├── qa_metric.py ├── reader.py ├── reference.py ├── test.py └── util │ ├── __init__.py │ └── make_mmcif.py ├── pyproject.toml ├── requirements.txt ├── setup.py ├── test ├── input │ ├── mini.cif │ ├── no_title.cif │ ├── not_modeled.cif │ └── struct_only.cif ├── test_alignment.py ├── test_associated.py ├── test_descriptor.py ├── test_dumper.py ├── test_edit.py ├── test_examples.py ├── test_main.py ├── test_make_mmcif.py ├── test_model.py ├── test_qa_metric.py ├── test_reader.py ├── test_reference.py └── utils.py └── util ├── check-db-entries.py ├── python-modelcif.spec └── validate-outputs.py /.appveyor.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ihmwg/python-modelcif/HEAD/.appveyor.yml -------------------------------------------------------------------------------- /.codecov.yml: -------------------------------------------------------------------------------- 1 | ignore: 2 | - test 3 | -------------------------------------------------------------------------------- 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