ModelCIF: An extension of PDBx/mmCIF data representation for computed structure models

Vallat, Brinda and Tauriello, Gerardo and Bienert, Stefan and Haas, Juergen and Webb, Benjamin M. and Zheng, Wei and Peisach, Ezra and Piehl, Dennis W. and Anischanka, Ivan and Sillitoe, Ian and Tolchard, James and Varadi, Mihaly and Baker, David and Orengo, Christine and Zhang, Yang and Hoch, Jeffrey C. and Kurisu, Genji and Patwardhan, Ardan and Velankar, Sameer and Burley, Stephen K. and Sali, Andrej and Schwede, Torsten and Berman, Helen M. and Westbrook, John D.. (2023) ModelCIF: An extension of PDBx/mmCIF data representation for computed structure models. Journal of Molecular Biology, 435 (14). p. 168021.

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Official URL: https://edoc.unibas.ch/93822/

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ModelCIF (github.com/ihmwg/ModelCIF) is a data information framework developed for and by computational structural biologists to enable delivery of Findable, Accessible, Interoperable, and Reusable (FAIR) data to users worldwide. ModelCIF describes the specific set of attributes and metadata associated with macromolecular structures modeled by solely computational methods and provides an extensible data representation for deposition, archiving, and public dissemination of predicted three-dimensional (3D) models of macromolecules. It is an extension of the Protein Data Bank Exchange / macromolecular Crystallographic Information Framework (PDBx/mmCIF), which is the global data standard for representing experimentally-determined 3D structures of macromolecules and associated metadata. The PDBx/mmCIF framework and its extensions (e.g., ModelCIF) are managed by the Worldwide Protein Data Bank partnership (wwPDB, wwpdb.org) in collaboration with relevant community stakeholders such as the wwPDB ModelCIF Working Group (wwpdb.org/task/modelcif). This semantically rich and extensible data framework for representing computed structure models (CSMs) accelerates the pace of scientific discovery. Herein, we describe the architecture, contents, and governance of ModelCIF, and tools and processes for maintaining and extending the data standard. Community tools and software libraries that support ModelCIF are also described.
Faculties and Departments:05 Faculty of Science > Departement Biozentrum > Computational & Systems Biology > Bioinformatics (Schwede)
UniBasel Contributors:Schwede, Torsten
Item Type:Article, refereed
Article Subtype:Research Article
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:10 Jul 2023 12:04
Deposited On:10 Jul 2023 12:04

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