Atomic coordinate file: Difference between revisions

The most popular macromolecular data format among crystallographers is the one developed and used by the early (1970's) [[Protein Data Bank]], called the ''Protein Data Bank Format'' or ''PDB Format''. Data files in this format are called ''PDB Files'' (file type .pdb). Although this format has serious limitations, it remains popular partly because the data files are in plain text, and are relatively easy to read by humans.

In February, 2019, the PDB announced that new depositions must be in the mmCIF format beginning July 1, 2019<ref name="endOfPDBFormat">[https://lists.sdsc.edu/pipermail/pdb-l/2019-February/006209.html Mandatory PDBx/mmCIF format files submission for MX depositions]: posted on the PDB email list Feb 20, 2019 by Jasmine Young, Biocuration Team Lead, RCSB PDB. The wwPDb website also posted [http://www.wwpdb.org/news/news?year=2019#5c6ad3c5ea7d0653b99c8766 this document].</ref>. The PDB expects to retire PDB format files by 2021, in part because all 3-character ligand (chemical component identifier) codes will have been used<ref name="endOfPDBFormat" />. The PDB sometimes refers to the mmCIF format as "PDBx", which should not be confused with the original PDB format.