scholarly journals Validation of the Crystallography Open Database using the Crystallographic Information Framework

2021 ◽  
Vol 54 (2) ◽  
Author(s):  
Antanas Vaitkus ◽  
Andrius Merkys ◽  
Saulius Gražulis
Keyword(s):  
Data Curation ◽  
Formal Validation ◽  
Crystallography Open Database ◽  
Information Framework ◽  
Maintenance Process ◽  
Data Maintenance

Data curation practices of the Crystallography Open Database (COD) are described with additional focus being placed on the formal validation using the Crystallographic Information Framework (CIF). The cif_validate program, capable of validating CIF files against both the DDL1 and the DDLm dictionaries, is presented and used to process the entirety of the COD. Validation results collected from over 450 000 CIF files are demonstrated to be a useful resource in the data maintenance process as well as the development of the underlying ontologies. A set of programs intended to aid in the dictionary migration from DDL1 to DDLm is also presented.

Open Access Resources for Crystallography Education in Interdisciplinary College Courses: Crystallographic Databases and 3D Printed Models

2014 ◽  
Vol 1716 ◽  
Author(s):  
Peter Moeck ◽  
Jennifer Stone-Sundberg ◽  
Trevor J. Snyder ◽  
Werner Kaminsky
Keyword(s):  
Open Access ◽  
Small Molecules ◽  
Structural Information ◽  
College Education ◽  
3D Printer ◽  
College Courses ◽  
Crystallographic Databases ◽  
3D Printed ◽  
Crystallography Open Database ◽  
Information Framework

ABSTRACTComplementing a multitude of activities around the International Year of Crystallography, we report here on a few resources that are helpful for integrating basic crystallography into interdisciplinary college education. We concentrate on four resources with which we are directly involved. The Crystallography Open Database (COD) features currently more than 295,000 entries and has over the last decade developed into the world’s premier open-access source for the structures of small molecules and small to medium sized unit cell crystals. ‘Educational offshoots’ of the COD with approximately a thousand entries combined provide structural information on small molecules, selected macromolecules, crystal structures, grain boundaries, and crystal morphologies in the well documented Crystallographic Information Framework (CIF) file format. This information can be displayed interactively on the website http://nanocrystallography.research.pdx.edu and freely downloaded. Files that allow for the printing of selected database entries on any 3D printer have been added to this site and are also freely downloadable. These files were created with the programs Cif2VRML and WinXMorph that convert CIF files directly into 3D printing files. Interested college educators are invited to visit our open access crystallography resource portal and suggest other resources that should receive wider exposure over this portal.

Maintenance process and associated indicators

2017 ◽  
Keyword(s):  
Maintenance Process

Efficient Data Maintenance Scheme for Peer-to-Peer Storage Systems

2009 ◽  
Vol 20 (1) ◽  
pp. 80-95 ◽  
Author(s):  
Zhi YANG ◽  
Jun ZHU ◽  
Ya-Fei DAI
Keyword(s):  
Storage Systems ◽  
Peer To Peer ◽  
Efficient Data ◽  
Data Maintenance

scholarly journals Data curation during a pandemic and lessons learned from COVID-19

2021 ◽  
Vol 1 (1) ◽  
pp. 9-10
Author(s):  
Moritz U. G. Kraemer ◽  
Samuel V. Scarpino ◽  
Vukosi Marivate ◽  
Bernardo Gutierrez ◽  
Bo Xu ◽  
...  
Keyword(s):  
Lessons Learned ◽  
Data Curation
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