ModelCIF provides the data representation for describing structural models of macromolecules derived from computational methods. ModelCIF is developed and maintained by the ModelCIF Working Group.
ModelCIF data standards is used by the ModelArchive and MODBASE repositories. These models may be derived from already existing structural templates (also known as homology modeling or comparative modeling methods) or can be obtained from ab initio modeling methods.
ModelCIF is an extension of the PDBx/mmCIF dictionary. The PDBx/mmCIF dictionary is used by the wwPDB to archive structural models of macromolecules determined using X-ray crystallography, NMR spectroscory and three-dimensional Electron Microscopy.
ModelCIF dictionary is distributed in two forms:
- ModelCIF dictionary combined with definitions in the parent PDBx/mmCIF dictionary (available at dist/mmcif_ma.dic) and
- ModelCIF extension separately without the definitions in the parent PDBx/mmCIF dictionary (available at dist/mmcif_ma_ext.dic)
The primary publication about ModelCIF is available at https://doi.org/10.1016/j.jmb.2023.168021.