Session Overview |
Session | ||
SMS-2: Exemplary practice in chemical, biological and materials database archiving
Invited: Ian Bruno (UK), Stephen Burley (USA) | ||
Session Abstract | ||
Crystallographic databases have a long and distinguished history. The Cambridge Structural Database (CSD) has been in operation for more than 50 years and is reaching its millionth published crystal structure entry. The Protein Data Bank was founded in 1971 and has around 150,000 entries, mainly derived from X-ray crystallography but also from NMR, cryoEM and neutron crystallography and integrative methods. The validation of entries is a major effort, and one that could act as an exemplar for other scientific fields. The science educational use of the entries is absolutely gargantuan. The impact on science and medicine based industries is huge. The microsymposium will explore best practice in archiving and the development of tools for optimal dissemination of the data curated by the database organisations. The modern challenge for databases also includes handling of results from scattering, diffraction, spectroscopies and microscopies, once again from the full spectrum of samples such as crystals, powders, fibres, nanostructured and amorphous materials or solutions. Also in recognition of the growing interest and indeed importance given to raw data, both the CSD and PDB now invite the author/depositor to include DOIs registered for raw diffraction data images and associated metadata.
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Introduction | ||
Presentations | ||
2:45pm - 2:50pm
ID: 1836 / SMS-2: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1341 / SMS-2: 2 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: data, community, standards, FAIR, CSD CSD One Million: Reasons why the crystallographic community is exemplary The Cambridge Crystallographic Data Centre, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=696
3:20pm - 3:50pm
ID: 1629 / SMS-2: 3 All topics Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: Protein Data Bank, Macromolecular Structure, Open Access RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D Rutgers, The State University of New Jersey, Piscataway, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=697
3:50pm - 4:15pm
ID: 1332 / SMS-2: 4 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: data curation; crystal structures; databases; inorganic chemistry; metalorganic chemistry Behind the scenes - data processing and quality assurance for the ICSD FIZ Karlsruhe - Leibniz-Institut für Informationsinfrastruktur, Eggenstein-Leopoldshafen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=698
4:15pm - 4:40pm
ID: 1314 / SMS-2: 5 Special Sessions Invited lecture to session Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: database, raw data, PXRD, powder diffraction The Full Plate: Benefits of simulated and raw data digital patterns in the Powder Diffraction FileTM International Centre for Diffraction Data, Newtown Square, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=699
4:40pm - 5:05pm
ID: 1637 / SMS-2: 6 Special Sessions Oral/poster Special sessions: Exemplary practice in chemical, biological and materials database archiving Keywords: Protein Data Bank; Cambridge Structural Database; worldwide PDB Protein Data Bank Japan: 20 years and more as the Asian hub for 3D structure and the founding member of the wwPDB Osaka University, Osaka, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=700
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