Helen M. Berman a , Margaret J. Gabanyi a , Colin R. Groom b , John E. Johnson c , Garib N. Murshudov d , Robert A. Nicholls d , Vijay Reddy c , Torsten Schwede e , f , Matthew D. Zimmerman g , John Westbrook a , Wladek Minor g , *
01 January 2015
This paper presents a variety of techniques and technologies aimed at the transformation of crystallographic data into information and knowledge.
Structural and functional studies require the development of sophisticated ‘Big Data’ technologies and software to increase the knowledge derived and ensure reproducibility of the data. This paper presents summaries of the Structural Biology Knowledge Base, the VIPERdb Virus Structure Database, evaluation of homology modeling by the Protein Model Portal, the ProSMART tool for conformation-independent structure comparison, the LabDB ‘super’ laboratory information management system and the Cambridge Structural Database. These techniques and technologies represent important tools for the transformation of crystallographic data into knowledge and information, in an effort to address the problem of non-reproducibility of experimental results.