modelarchive documentation
This is the ModelArchive Python package, providing the core functionality used by the ModelArchive team to handle, refine, and produce ModelCIF files. We may also add userland tooling for the database itself, in the future.
For real-world usage examples, browse our modelcif-converters repository. /projects contains a list of “modelling project to ModelCIF files” conversions from the past. The latter ones should use this package.
Contents:
Credit
While at ModelArchive, we develop the ModelCIF mmCIF extension (alongside other contributors), key functionality underlying our Python package comes from external developments: the python-modelcif and the gemmi packages.
python-modelcifis brilliant in creating ModelCIF files from scratchgemmiis our go-to package for refining and updating existing ModelCIF files