| Macromolecular Crystallographic Information File | |
| Mime: | chemical/x-mmcif |
| Developer: | International Union of Crystallography (IUCr), Protein Data Bank |
| Latest Release Version: | 5.372 |
| Latest Release Date: | 12 June 2023 |
| Genre: | chemical file format |
| Extended From: | Crystallographic Information File |
The Macromolecular Crystallographic Information File (mmCIF) also known as PDBx/mmCIF is a standard text file format for representing macromolecular structure data, developed by the International Union of Crystallography (IUCr) and the Protein Data Bank[1] It is an extension of the Crystallographic Information File (CIF), specifically for macromolecular data, such as proteins and nucleic acids, incorporating elements from the PDB file format.
mmCIF is intended as an alternative to the Protein Data Bank (PDB) format and is now the default format used by the Protein Data Bank.[2]
mmCIF was designed to address limitations of the PDB format in terms of capacity and flexibility, especially with the increasing size and complexity of macromolecular structures being determined.
The format is part of the larger Crystallographic Information Framework, a system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations, including, but not restricted to, the original Crystallographic Information File and XML.
An example of the mmCIF file format is key-value style is:
_cell.entry_id 4HHB _cell.length_a 63.150 _cell.length_b 83.590 _cell.length_c 53.800 _cell.angle_alpha 90.00 _cell.angle_beta 99.34 _cell.angle_gamma 90.00 _cell.Z_PDB 4