M.D.Winn, DL, March 28th 2007 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

M.D.Winn, DL, March 28th 2007 News As of 1st April, CCLRC and PPARC will merge to become STFC. This doesn’t mean: But rather: Science and Technology Facilities Council We think: New agreements use STFC rather than CCLRC New logo on the web site! Our addresses will remain

M.D.Winn, DL, March 28th 2007 DL team staff Martyn Core, MrBUMP Maeri Organisation Peter Core, GUI Ronan Core, MrBUMP Charles Core, automation Graeme e-HTPX, XIA Wendy BioXHIT GUI Db Francois, core, installation Norman automation

M.D.Winn, DL, March 28th 2007 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 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

M.D.Winn, DL, March 28th 2007 Highlights of 2006 / 2007 Releases: 6.0.1, Launch of Prerelease Page Helpdesk (rough estimate 15 queries / week) Stands at ACA, ECM Study Reading Workshops in Beijing, Osaka 4 university visits Travel grants from BBSRC for China and India major projects dealt with elsewhere...

M.D.Winn, DL, March 28th 2007 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 Maeri’s talk Keep financially solvent major projects dealt with elsewhere... More of the same? Need to deal with increasing size of suite Need to deal with coordination of effort

M.D.Winn, DL, March 28th 2007 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 Dec

M.D.Winn, DL, March 28th 2007 Python working party

M.D.Winn, DL, March 28th 2007 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 ]

M.D.Winn, DL, March 28th 2007 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: Pete’s 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. WP activities and status CCB’s 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.

M.D.Winn, DL, March 28th 2007 XML working party

M.D.Winn, DL, March 28th 2007 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 ]

M.D.Winn, DL, March 28th 2007

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