A crystallographic perspective on sharing data and knowledge

作者：Bruno Ian J^*; Groom Colin R

来源：Journal of Computer-Aided Molecular Design, 2014, 28(10): 1015-1022.

DOI：10.1007/s10822-014-9780-9

• Crystallography
• Data
• Knowledge
• Sharing
• Sustainability

The crystallographic community is in many ways an exemplar of the benefits and practices of sharing data. Since the inception of the technique, virtually every published crystal structure has been made available to others. This has been achieved through the establishment of several specialist data centres, including the Cambridge Crystallographic Data Centre, which produces the Cambridge Structural Database. Containing curated structures of small organic molecules, some containing a metal, the database has been produced for almost 50 years. This has required the development of complex informatics tools and an environment allowing expert human curation. As importantly, a financial model has evolved which has, to date, ensured the sustainability of the resource. However, the opportunities afforded by technological changes and changing attitudes to sharing data make it an opportune moment to review current practices.

• 出版日期2014-10