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Convert CIF dictionaries to OWL Turtle files - dic2owl

This Python package presents a CLI dic2owl that can convert a CIF dictionary to an OWL Turtle file using the schema developed in the EMMO-Crystallography EMMC Task Group.

Ontologization schema

The early schema development can be found in the #16 issue.

It has been developed by the EMMO-Crystallography EMMC Task Group, which consists of:

  • Casper Welzel Andersen, EPFL
  • Jesper Friis, SINTEF
  • James Hester
  • Saulius Grazulis
  • Rickard Armiento
  • Emanuele Ghedini
  • Francesca Lønstad Bleken, SINTEF
  • Joana Morgado, Fraunhofer IWM
  • Stuart Chalk

Related work and dependencies

This package relies on the PyCIFRW package developed by James Hester to parse CIF (.cif) and CIF dictionary (.dic) files.

For developers

Pre-commit (Python formatting)

To ensure similar formatting, this repository uses pre-commit, which runs prior to every git commit. Specifically, black is used as the default Python formatter.

To install in your local clone, cd to the root of the repository and run

/path/to/CIF-ontology$ pre-commit install
pre-commit installed at .git/hooks/pre-commit

Author

  • Jesper Friis, SINTEF
  • Casper Welzel Andersen, EPFL
  • James Hester