MS11: Big Data at Facilities and Cloud Computing in Crystallography

  • Ana Gonzalez (MAX IV Laboratory, Sweden)
  • Sameer Velankar (European Bioinformatics Institute, United Kingdom)
  • Date:     Wednesday, 21. August 2019
  • Time:    14:00 - 16:00
  • Venue:  HS33

With new detectors, new techniques and new facilities, the role of data in crystallography has never been so important. This session will concern all aspects of "big data" in crystallography, from the sources of the data at X-ray facilities through to data mining in databases of deposited structures.

14:00 MS11-01 Recalculating all X-ray Structures in the PDB by PDB_REDO: Going Cloud
Anastassis Perrakis (The Netherlands Cancer Institute, Netherlands) | Abstract preview
14:30 MS11-02 CCP4 Cloud for Distributed Crystallographic Computations
Eugene Krissinel (Rutherford Appleton Laboratory, United Kingdom) | Abstract preview
15:00 MS11-03 EXI, the EXtended ISPyB Interface
Gianluca Santoni (European Synchrotron Radiation Facility) | Abstract preview
15:20 MS11-04 Keeping Things 'N Synch: Analysing the Content and Completeness of CIF Metadata in the CSD
Natalie Johnson (Cambridge Crystallographic Data Centre) | Abstract preview
15:40 MS11-05 Machine Learning for Experimental Phasing in MX
Melanie Vollmar (Diamond Light Source Ltd) | Abstract preview