Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB).

This letter announces that PDBx/mmCIF format files will become mandatory for crystallographic depositions to the Protein Data Bank (PDB).

[1]  Erik Schultes,et al.  The FAIR Guiding Principles for scientific data management and stewardship , 2016, Scientific Data.

[2]  Robert M. Hanson,et al.  Jmol – a paradigm shift in crystallographic visualization , 2010 .

[3]  Martyn Winn,et al.  Distributed computing for macromolecular crystallography , 2018, Acta crystallographica. Section D, Structural biology.

[4]  Christian Roth,et al.  CCP4i2: the new graphical user interface to the CCP4 program suite , 2018, Acta crystallographica. Section D, Structural biology.

[5]  John L. Markley,et al.  STAR/CIF macromolecular NMR data dictionaries and data file formats , 1996 .

[6]  Zukang Feng,et al.  Automated and accurate deposition of structures solved by X-ray diffraction to the Protein Data Bank. , 2004, Acta crystallographica. Section D, Biological crystallography.

[7]  Alan Brown,et al.  Tools for macromolecular model building and refinement into electron cryo-microscopy reconstructions , 2015, Acta crystallographica. Section D, Biological crystallography.

[8]  Juergen Haas,et al.  The Protein Model Portal—a comprehensive resource for protein structure and model information , 2013, Database J. Biol. Databases Curation.

[9]  Radka Svobodová Vařeková,et al.  LiteMol suite: interactive web-based visualization of large-scale macromolecular structure data , 2017, Nature Methods.

[10]  F. Allen,et al.  The crystallographic information file (CIF) : a new standard archive file for crystallography , 1991 .

[11]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[12]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[13]  Philip E. Bourne,et al.  Classification and use of macromolecular data , 2006 .

[14]  Randy J. Read,et al.  Phenix - a comprehensive python-based system for macromolecular structure solution , 2012 .

[15]  Genji Kurisu,et al.  Worldwide Protein Data Bank biocuration supporting open access to high-quality 3D structural biology data , 2018, Database J. Biol. Databases Curation.

[16]  W. Delano The PyMOL Molecular Graphics System , 2002 .

[17]  John D. Westbrook,et al.  Representation of viruses in the remediated PDB archive , 2008, Acta crystallographica. Section D, Biological crystallography.

[18]  Conrad C. Huang,et al.  UCSF ChimeraX: Meeting modern challenges in visualization and analysis , 2018, Protein science : a publication of the Protein Society.

[19]  H. Bernstein Recent changes to RasMol, recombining the variants. , 2000, Trends in biochemical sciences.

[20]  J. Sussman,et al.  JSmol and the Next-Generation Web-Based Representation of 3D Molecular Structure as Applied to Proteopedia , 2013 .

[21]  G. Bricogne,et al.  Refinement of severely incomplete structures with maximum likelihood in BUSTER-TNT. , 2004, Acta crystallographica. Section D, Biological crystallography.

[22]  Naohiro Kobayashi,et al.  OneDep: Unified wwPDB System for Deposition, Biocuration, and Validation of Macromolecular Structures in the PDB Archive. , 2017, Structure.

[23]  Haruki Nakamura,et al.  Announcing the worldwide Protein Data Bank , 2003, Nature Structural Biology.

[24]  Philip E. Bourne,et al.  Macromolecular dictionary (mmCIF) , 2006 .

[25]  John Westbrook,et al.  Extension of the sasCIF format and its applications for data processing and deposition , 2016, Journal of applied crystallography.

[26]  Cole H. Christie,et al.  Protein Data Bank: the single global archive for 3D macromolecular structure data , 2018, Nucleic Acids Res..

[27]  Anastassis Perrakis,et al.  Developments in the CCP4 molecular-graphics project. , 2004, Acta crystallographica. Section D, Biological crystallography.

[28]  D. I. Svergun,et al.  sasCIF: an extension of core Crystallographic Information File for SAS , 2000 .

[29]  N. Pannu,et al.  REFMAC5 for the refinement of macromolecular crystal structures , 2011, Acta crystallographica. Section D, Biological crystallography.