Dear all,
ModelCIF (GitHub <http://github.com/ihmwg/ModelCIF>) is a data
information framework developed for and by computational structural
biologists to describe structural models of macromolecules derived from
computational methods. It provides an extensible data representation for
deposition, archiving, and public dissemination of these models of
proteins to enable delivery of Findable, Accessible, Interoperable, and
Reusable (FAIR) data to users worldwide.
<I>A. Overview of the ModelCIF extension of PDBx/mmCIF. B. Schematic
representation of ModelCIF data specifications. ModelCIF includes
definitions for input data used in template-based and template-free
modeling; reference information for macromolecular sequences and small
molecule components; local and global CSM quality metrics; and metadata
information regarding modeling protocol, CSM classification (ab initio,
homology, etc.) and descriptions of associated files.</I>
<https://cdn.rcsb.org/news/2023/modelcifextensionofpdbx-mmcif.png>/A.
Overview of the ModelCIF extension of PDBx/mmCIF. B. Schematic
representation of ModelCIF data specifications. ModelCIF includes
definitions for input data used in template-based and template-free
modeling; reference information for macromolecular sequences and small
molecule components; local and global CSM quality metrics; and metadata
information regarding modeling protocol, CSM classification (ab initio,
homology, etc.) and descriptions of associated files./
ModelCIF is an extension of the Protein Data Bank
Exchange/macromolecular Crystallographic Information Framework
(PDBx/mmCIF <https://mmcif.wwpdb.org/>), which is the global data
standard for representing experimentally-determined, three-dimensional
(3D) structures of macromolecules and associated metadata. The
PDBx/mmCIF framework and its extensions (e.g., ModelCIF) are managed by
the wwPDB in collaboration with relevant community stakeholders such as
thewwPDB ModelCIF Working Group <https://www.wwpdb.org/task/modelcif>.
This semantically rich and extensible data framework for representing
computed structure models (CSMs) accelerates the pace of scientific
discovery. Furthermore, use of this data standard promotes
inter-operation among structural biology data resources, with ModelCIF
currently used by theModelArchive
<https://www.modelarchive.org/>,AlphaFold DB
<https://alphafold.ebi.ac.uk/>, andMODBASE
<https://modbase.compbio.ucsf.edu/>repositories. A manuscript was
recently submitted to/bioRxiv/
<https://doi.org/10.1101/2022.12.06.518550>describing the architecture,
contents, and governance of ModelCIF as well as tools and processes for
maintaining and extending the data standard [1].
Visit theModelCIF GitHub <http://github.com/ihmwg/ModelCIF>for more
information about this data information framework.
[1] Vallat B, Tauriello G, Bienert S, Haas J, Webb BM, et al. ModelCIF:
An extension of PDBx/mmCIF data representation for computed structure
models./bioRxiv/doi:10.1101/2022.12.06.518550
<https://doi.org/10.1101/2022.12.06.518550>.
Read this news on the wwPDB website:
https://www.wwpdb.org/news/news?year=2023#63d28b2c314f0e7e1b1d3ce6
Kind regards,
Deborah Harrus
PDBe
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Deborah Harrus, Ph.D.
Lead Annotator
PDBe - Protein Data Bank in Europe
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD UK
http://www.PDBe.org
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