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WP0 Core activities Martyn Winn. Releases PDB format Licence Workshops Support Summary of activities Priorities for the future. Releases. 6.0.99a – Dec 07, limited distribution 6.0.99b – apparently in use, see BB messages 6.0.99c – released to ccp4-dev last Friday (14 th March)

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WP0 Core activities

Martyn Winn

  • Releases

  • PDB format

  • Licence

  • Workshops

  • Support

  • Summary of activities

  • Priorities for the future

M.D.Winn, DL, March 17th 2008


  • 6.0.99a – Dec 07, limited distribution

  • 6.0.99b – apparently in use, see BB messages

  • 6.0.99c – released to ccp4-dev last Friday (14th March)

    • source code only

    • all 6.1 programs now included

    • integration of the dbHandler

    • inclusion of refmac_sad code

    • initial test of update alerts

      • should get annoying message from ccp4.setup

      • will use to notify testers of some known issues in 6.0.99c

M.D.Winn, DL, March 17th 2008

Libraries pdb format
Libraries / PDB format

  • Various updates: Clipper2, cctbx, etc.

  • Diffraction image library – see FR talk

  • updates to support extensions to PDB format

    • 2-char chain IDs

    • hybrid36 for atom and residue numbers

      • MMDB updated to read/write

      • Fortran wrapper to Ralf’s functions – used in Fortran log output

      • applications being changed for variable dimensions and log output

      • changes neutral for standard PDB files

M.D.Winn, DL, March 17th 2008


  • Paul Sherwood looking at GPL as part of wider software licensing issues in CSED

  • GPLv3 allows us to localise the warranty and liability clauses (to satisfy requirements of English law)

  • He has consulted with Rowan Wilson at OSSWatch (JISC-funded advisory body)

  • email to FSF-Europe unanswered

  • We have a version of GPLv3 with section 15 modified and section 16 replaced

  • CCP4 libraries to be distributed under unmodified LGPLv3 which refers to modified GPLv3

  • Availability announced on CCP4 Licensing page, however main licence document and source code banners need updating

M.D.Winn, DL, March 17th 2008

Workshops 2008
Workshops 2008

  • Study Weekend Jan 08

  • Bangalore – Feb 08 (MDW, CCB, MH et al.)

  • “CCP4 structure determination pipeline” – Oulu, Apr 08 (MDW et al.)

  • CCP4 workshop – APS May 08 (RMK, GNM)

  • Stand at ACA

  • Erice May 08 (MDW, EP)

  • Stand at IUCr 08 (MDW)

  • Workshop in Tokyo (CCB, GNM)

M.D.Winn, DL, March 17th 2008

Other core activities
Other core activities

  • Maintenance of legacy code, maintenance of GUIs

  • Finance: industrial income, university contracts, workshop sponsorship, travel for exec tutors etc, budget monitoring and presentation, etc.

  • Web site: problems pages, WG minutes, available positions, pre-release software, etc.

  • Organisation of management meetings: this one, exec meetings, etc.

  • CCP4 Newsletters

  • Maintenance of mailing list: subscription problems

  • Funding: India partnering award, Bioxhit, etc

M.D.Winn, DL, March 17th 2008

Time analysis
Time analysis

M.D.Winn, DL, March 17th 2008


  • User emails reflect helpdesk, but note run-over into following week

  • Release obviously large activity at the moment, but not year-round

  • Conferences low at the moment (but preparation begun for summer conferences / workshops)

  • PJB project = dbHandler, FR project = DiffractionImage, RMK project = MrBUMP, NDS project = ctruncate/chainsaw

  • Meetings = dev meetings, Keith visits, release meetings, etc.

  • Admin = finance, reports, minutes, arranging travel, internal management

  • Extra admin recently associated with staff changes

  • MDW: percentages of my 80% time

  • NDS: percentage of total time

M.D.Winn, DL, March 17th 2008

Priorities for the future
Priorities for the future

  • Staff changes:

    • Wendy left Aug 07

    • Maeri leaving end March 08

    • Pete leaving end September

    • Martyn 60% from April 08

    • Norman?

      Plan to recruit, but likely reduction in core activities over next year

  • Chance to reconsider priorities:

    • Creation of WP0

    • Move of core activities to Diamond

M.D.Winn, DL, March 17th 2008

Future direction
Future direction

At the moment, all things to all people. Focus??

  • Drop helpdesk? Rely on BB and wiki?

  • Use Diamond location to develop science projects?

  • Or move to dedicated software group?

  • Serve UK or the world?

  • Strengthen core developments at expense of individual projects? I.e. what level of integration?

  • Releases .... see next slide and talk.

M.D.Winn, DL, March 17th 2008

Release strategy
Release strategy

  • Garib will say more ....

  • Suite is no longer a simple set of Fortran programs accessing standard file formats via single library

  • Now disparate set of technologies and supporting libraries

  • Includes a number of large and active independent projects – synchronisation is the major problem

  • Business-as-usual no longer possible!

  • Packages are an attempt to address this (release page lists package updates / additions since 6.0.2 e.g. phaser, rampage)

    Recommended activity for WP0:

  • Step back and decide what we want

  • Survey other software projects – taking note of relative size of projects

M.D.Winn, DL, March 17th 2008


M.D.Winn, DL, March 17th 2008

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 ([email protected])

  • Promotion 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 17th 2008

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 @ Reading

  • Workshop in Beijing, 4 university visits

  • Travel grants from BBSRC

M.D.Winn, DL, March 17th 2008

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 - see Keith’s talk

M.D.Winn, DL, March 17th 2008