Automation standards and frameworks: from data reduction to structure

Presentations From the Workshop

The presentations can be accessed from this page.

Supporting Information for the Workshop

This document contains supporting information for the workshop. Workshop details (including time tables and delegates) can be found at the EBI/MSD website at http://www.ebi.ac.uk/msd-srv/docs/bioxhit05_1.html.

Please contact the workshop organisers if you have any questions or comments.

• Specific issues to be raised and addressed by the workshop sessions

• Speakers in session 1 ("Standards for Frameworks for Automation") were invited to submit a short description of their pipeline, which will be circulated at the meeting and included (with permission) in a report to be produced as a result of the workshop.

  A proforma was available to make it easier to write the description:

  • Proforma for pipeline description (Rich Text Format)

  The following pipeline descriptions were kindly contributed (in PDF):

  • Processor.py: automated processing for e-HTPX (Graeme Winter)
  • X-Tray: automating the Chemical Crystallography experiment (Simon Coles)
  • Crank (Steven Ness and Raj Pannu)
  • Auto-Rickshaw (Santosh Panjikar)
  • PHENIX (Paul Adams et al)
  • CS² (Control System for Crystallographic Software)/PyWarp (Marouane Ben Jelloul)
  • autoSHARP (Clemens Vonrhein and Gerard Bricogne)
  • CHART (Paul Emsley)

• For session 2 some initial use cases for different parts of the structure solution process have been made available by Avi Naim:

  • Text descriptions of e-HTPX use cases (PDF)

  There are graphical examples in jpeg format:

  • Use case 3.5: Automated Processing
  • Use case 5: Phasing via SAD
  • Use case 6: Phasing via Molecular Replacement