Minutes of the Working Group 2 Meeting -------------------------------------- Tuesday Apr 7th 1998, St Andrews University --------------------------------------------- Present: Phil Evans (Chairman) MRC, Cambridge Martyn Winn Daresbury/CCP4 Jim Naismith St Andrews Lindsay Sawyer Edinburgh Ian Tickle Birkbeck Neil Isaacs Glasgow Christine Cardin Reading Sue Bailey Daresbury/CCP4 Fred Vellieux IBS/Grenoble Garib Murshudov York/CCP4 Alun Ashton Daresbury/CCP4 Peter Briggs Daresbury/CCP4 Kim Henrick EBI Eleanor Dodson York Johann Turkenburg York Jim Raftery Manchester Liz Potterton York/CCP4 Sheila Gover Oxford Paul Emsley Glasgow Tadeusz Skarzynski Glaxo Misha Isupov Exeter Kay Wilkinson Bristol Apologies: Peter Moody, Cameron Dunn. 1) Minutes of meeting of 21-1-98 and matters arising ---------------------------------------------------- The minutes of the meeting were accepted. There were a number of matters arising which were discussed: 6. Sheila reported back that Richard Bryan had agreed to help test new versions of the suite on a VMS system. 7. Anomalous differences. There was further discussion on the way these should be stored in the MTZ files. 1. Introductions ---------------- Peter Briggs the new CCP4 person at Daresbury was introduced to the committee. 2) Study Weekend '99 --------------------- Venue - Sheffield Topic - Data collection and processing Organisers - Leo Brady + Johann Turkenburg Johann presnted the current ideas on speakers and there was some discussion of possible speakers. Phil said that Colin gave a good talk on matching thge source to the crystal. Peter Kuhn (Stanford web page) was mentioned for providing a checklist of preparations for Synchrotron beam time. Zbisek O. was pushed as a better speaker than Wladek M. D. Bourgeois was suggested to talk on integration of overlapping spots (also Trevor Greenhough). Z. Dauter was suggested for data collection strategy. Phil suggested a talk on the practical steps that one has to go through, eg space group determination. Eleanor wanted a talk on twinning and Jim N. suggested Naveen Chandra (eg to include looking at normal probability plots). ACTION: Leo and Johann 3) CCP4 workshops. ------------------ a. MAD workshop at DL to be held in June. b. Programmers workshop / Data harvesting to be held at EBI in September c. Eleanor said that she had been asked to organise a CCP4 workshop prior to the ECM meeting in Prague. They had offered the use of worksations for demos. It was agreed that it would be good for CCP4 to hold such a workshop and that CCP4 would contribute to the costs of helpers attending the ECM meeting. 4) Change to MTZ header ------------------------- Kim asked if there could be additional data per column in the MTZ header. Martyn agreed that this was technically not a problem. 5) 'Future of CCP4 Meeting' -------------------------- Neil announced the intention to hold a meeting to discuss the future direction of CCP4. It would be intended to look at where we should be going in the next 5 years and discussing priorities. It should be aimed to generate ideas rather than make decisions. 6) New release, V3.4 --------------------- It was intended that there would be major new releases of CCP4 for the GUI and the new coordinate format. But these are not imminent, and so Martyn wanted to make a release before these for accumulated bug fixes and new programs. Eleanor suggested that the programs should be tested on a P1 dataset as well as on TOXD. It was agreed that this would be a good idea. 7) Offer of programs -------------------- It was reported that the programs offered by Guoguang Lu from Stockholm (FINDNCS, WATNCS and TOP) were useful and worth implementing. 8) Asci MTZ files ----------------- There was some discussion of the possibility of using ascii MTZ files. Kevin Cowtan had mentioned he might implement this. While it is possible Phil pointed out a couple of problems: with resolution limits and precision of cell dimensions. 9) Automatic installation of X-windows programs ----------------------------------------------- This had been implemeted for some platforms but there were still problems. Phil agreed to send description of his problems with fonts of Xloggraph which are set at compile time. paul E. agreed to email Alun with some problems/solutions. 10) Date of next meeting ----------------------- Tuesday 15th September in London at 11:30. Sue Bailey 3.9.98