BIOXHIT developer working group on data tracking

Daresbury Laboratory, 14-15th September 2006

This is one of the proposed "cross section" working group meetings, and is focused on some of the tasks in section 5 of BIOXHIT which concern data exchange and data storage, and their integration with tasks in section 4, which are concerned broadly with software for structure determination.

The aim is have a small meeting and to focus on things that can be achieved practically in these areas within the remainder of the BIOXHIT project.

Aims of the meeting

The aim of the meeting is to find practical areas for collaboration between some of the developers working in Sections 4 and 5 of BIOXHIT. Areas where collaboration seems most promising include the following:

This also has some overlap with the CCP4 XML working party, and with the CCP4 Automation Project.

The hope is to have discussions about practical things that can be achieved within the context of the BIOXHIT project, and to leave with a set of actions that can be implemented in the remaining time.


Peter Briggs (chair), Avi Naim, Santosh Pankijar (2nd day only), Wendy Yang, Graeme Winter, Alun Ashton, Martyn Winn, Charles Ballard.

Draft Agenda

Day 1: Thursday 14th September

Note that times are provisional and are intended to give the meeting some structure.

Morning session: 10:30am


DL Boardroom

Introductions followed by short relatively informal "update" talks from each participant (around 5-10 minutes each, no/minimal number of slides), with the aim of updating people on current status of their developments, current ambitions etc:

  • BIOXHIT Standard XML tags/deposition (Avi Naim)
  • CCP4i tracking database (Peter Briggs)
  • DIAMOND and BIOXHIT/VCS (Alun Ashton)
  • DNA, e-HTPX & XIA (Graeme Winter)
  • CCP4 XML Working Group (Martyn Winn)
  • CCP4 Automation Project (Charles Ballard)

Follow this with a general discussion to determine issues for further discussions between individuals, and then decide on breakout groups for the remainder of day 1 and for day 2.

Break for lunch 12:30pm

Afternoon session: 1:30pm


Breakout groups

A number of rooms are available for discussions (CR1, CR4 and the DL Boardroom) on both days.

The breakout groups should be 1-2 hour each, where developers will discuss practical details for collaboration. The number and makeup of the groups will be decided at the meeting however some suggestions ahead of time include:

  • Plans for developing the DB schema (Wendy/PJB/Charles/Graeme/Avi)
  • DIAMOND requirements for CCP4(i) (Alun/Martyn/Wendy/PJB)
  • Standards implementation (Avi/Martyn/Graeme)

We should try to get some more suggestions via email ahead of the meeting.

Depending on the time available there will be 2-3 breakout groups before the end of the first day.

End: 5:00pm


Day 2: Friday 15th September

Breakout groups continue (if necessary)

Morning session: 9:30am


  • Brief review of preceeding day (for Santosh)
  • Autorickshaw overview (Santosh)
  • Review/revise breakout groups

Breakout groups continue

  • CCP4i db and Autorickshaw (Santosh and Wendy/PJB)

Lunch 12:30pm

Afternoon session: 13:30pm

Coffee: 3:30-4:00pm

Final discussion and review of outcomes/further actions.

End: 5:00pm (or earlier)

Accommodation and Travel

Accommodation and travel costs will be paid for from BIOXHIT Section 5 funds. Please let me know if you need accommodation for the meeting by emailing

Basic information on how to get to Daresbury can be found here:

However please let me know if you need additional information or help with transport to or from the meeting.