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diff --git a/examples/README.md b/examples/README.md new file mode 100644 index 0000000..6e8b2b9 --- /dev/null +++ b/examples/README.md @@ -0,0 +1,24 @@ +These examples demonstrate some of the functionality of the python-modelcif +software. See [the documentation](https://python-modelcif.readthedocs.io/) +for more information. + + - [convert\_bcif.py](convert_bcif.py) converts an mmCIF file containing + ModelCIF data to [BinaryCIF](https://github.com/molstar/BinaryCIF) format. + - [ligands.py](ligands.py) demonstrates writing an mmCIF file of a typical + single-template homology or comparative model, including a ligand. + - [mkmodbase.py](mkmodbase.py) demonstrates using the library to make an mmCIF + file of a typical single-template single-chain homology or comparative + model, similar to those generated by + [MODELLER](https://salilab.org/modeller/) and deposited in the + [ModBase database](https://modbase.compbio.ucsf.edu/). + - [associated.py](associated.py) demonstrates reading a deposition from + [ModelArchive](https://www.modelarchive.org/) that has been split into + multiple mmCIF files. + - [validate\_mmcif.py](validate_mmcif.py) demonstrates the use of the + library's validator to validate a user-provided input mmCIF file against the + [ModelCIF dictionary](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/). + - [validate\_modbase.py](validate_modbase.py) demonstrates downloading an + mmCIF structure from the [ModBase database](https://modbase.compbio.ucsf.edu/) + and validating it against the + [ModelCIF dictionary](https://mmcif.wwpdb.org/dictionaries/mmcif_ma.dic/Index/) + for compliance. |