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.

Currently, the package contains only the modelcif submodule, which provides functionality for all aspects of ModelCIF.

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-modelcif is brilliant in creating ModelCIF files from scratch

  • gemmi is our go-to package for refining and updating existing ModelCIF files