Core activities

1
Session 4 Core activities Intro

• Overview Martyn
• CCP4 Releases Charles
• Installation issues Francois
• Meetings Maeri
• Python and XML working parties Martyn
• Integration of CCP4 activities Keith

2
News
As of 1st April, CCLRC and PPARC will merge to
become STFC. This doesnt mean But
rather Science and Technology Facilities Council
We think New agreements use STFC rather than
CCLRC New logo on the web site! Our email
addresses (_at_dl.ac.uk) will remain
3
DL team staff
Maeri Organisation
Ronan Core, MrBUMP
Peter Core, GUI
Martyn Core, MrBUMP
Charles Core, automation
Francois, core, installation
Wendy BioXHIT GUI Db
Graeme e-HTPX, XIA
Norman automation
4
Core activities

• On-going development of supporting code
  (libraries, GUIs, etc.)
• On-going development of orphaned code (minor
  functionality additions)
• Releases of CCP4 software suite
• Distribution of other software through
  Prerelease Page (e.g. Pointless) and more
  generally (e.g. John Campbell software)
• Helpdesk (ccp4_at_dl.ac.uk)
• Promotion of CCP4 through conferences, site
  visits, etc.
• Organisation of workshops
• Maintenance of CCP4 web pages, ftp site, mailing
  lists, etc.
• Various administration, finances, commercial

5
Highlights of 2006 / 2007

• Releases 6.0.1, 6.0.2
• Launch of Prerelease Page
• Helpdesk (rough estimate 15 queries / week)
• Stands at ACA, ECM
• Study Weekend _at_ Reading
• Workshops in Beijing, Osaka
• 4 university visits
• Travel grants from BBSRC for China and India

major projects dealt with elsewhere ...
6
Plans for 2007 / 2008
Release 6.1 and patch releases - see Charles
talk On-going work on installation and updates -
see Francois talk Conferences ECM, ACA - see
Maeris talk Keep financially solvent
More of the same? Need to deal with increasing
size of suite Need to deal with coordination of
effort
major projects dealt with elsewhere ...
7
Other grants
e-HTPX in final year supporting
Graeme components adopted by BioXHIT, PIMS and
CCP4 Bioxhit in final year supporting
Wendy MAXINF2 supporting teaching workshops Dec
2004 - Dec 2009 http//www.ccp4.ac.uk/maxinf
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Python working party
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CCP4 Python Working Group
Charles Ballard (coordinator) - CCP4
automation Martyn Winn - CCP4 Fei Long -
Balbes Graeme Winter - DNA/e-HTPX/XIA Paul
Emsley - HAPPy Ronan Keegan - MrBUMP Norman
Stein - CCP4 automation Daniel Rolfe -
HAPPy
10
WP activities and status

• First and only meeting 6/7/05
• Central code repository This contains MTZ and
  PDB reading routines in python (from the HAPPy)
  project, and the XIA 1 driver class (from XIA).
  All agree that a central repository of common
  code is desirable, but no agreement on what this
  is.
• Smartie Petes python utility for parsing a
  variety of log files
• Programming styles No agreements. Everybody
  agrees that a common look and feel is desirable,
  but no agreement on what this is.

CCBs recommendation allow the current pipelines
to mature and see how to streamline them if
necessary STAB (23/11/06) There is currently no
need to standardise the Python code or re-use it.
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XML working party
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CCP4 XML Working Group
Martyn Winn (coordinator) - CCP4 programs Airlie
McCoy - Phaser Fei Long -
Balbes Graeme Winter - DNA/e-HTPX/XIA Steven
Ness - Crank Charles Ballard - CCP4
automation Paul Emsley - Coot Ronan Keegan -
MrBUMP Daniel Rolfe - HAPPy
13
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14
WP activities and status

• Discussions with Avi on Bioxhit XML
• - possible generic tags for citations, messages,
  etc.
• MrBUMP outputs XML for processing by AgentX

• XML is being used by pipeline developers.
• Developers are talking to each other, but
  efforts otherwise independent.
• No major overlap yet in XML content.
• Variety of XML tools being used.
• Top-down imposition of data model may hinder
  progress.
• Feeling that inter-package communication will
  not be difficult.
• Encourage sharing of tools and XML datatypes.