\documentstyle[12pt,a4]{article} % pre-amble to re-set sytle options \headheight 0in % No header text \headsep 0in % No distance between header and body of text \parindent 0in % No paragraph indentation \parskip \baselineskip % Size of gap between paragraphs % end of pre-amble \begin{document} \begin{center} {\bf MINUTES OF A MEETING OF WORKING GROUP 2 OF CCP4} \\ {\bf WHICH WAS HELD AT YORK UNIVERSITY} \\ {\bf on the 10th of April 1991} \end{center} \begin{tabular}{ll} Present: & \\ & \\ Phil Evans (acting Chairman) & MRC, Cambridge \\ Eleanor Dodson & York University \\ Jan Zelinka & York University \\ John Campbell & Daresbury Laboratory \\ Geoff Forward & Sheffield University \\ Sheila Gover & Oxford University \\ Kim Henrick & MRC, Cambridge \\ Don Akrigg & Leeds University \\ Peter Daly & Daresbury Laboratory \\ Jim Raftery & Manchester University \\ Cameron Dunn & Edinburgh University \\ Ian Tickle & Birkbeck College \\ Francesca Young & University of Glasgow \\ Wojciech Wolf (Secretary) & Daresbury Laboratory \end{tabular} Apologies from David Rice, Paul Taylor 1. {\it Minutes of the previous meeting} The minutes of the meeting of 9th January 1991 were agreed. 2. {\it New members to Working Group 2} The acting chairman welcomed Cameron Dunn, who takes over from Paul Taylor as the member from Edinburgh and Shelia Gover as the representative from Oxford. A request from Alan Wonacott (now at Glaxo) to attend the meetings was accepted, provided that his employers pay his travel expenses. 3. {\it Study Weekend 1992} Suggestions for the 1992 Study Weekend were put forward by several members, Phil Evans suggested a re-working of the topic of Molecular Replacement seemed appropriate since the last Study Weekend (1991) had been a revision of Isomorphous Replacement. Eleanor Dodson suggested data collection, particularly on difficult crystals. Kim Henrick suggested that since there were many meetings covering crystallography this year then a break with the format could be appropriate (for one year only) and suggested a workshop on computing aspects such as Unix, Fortran and C. The meeting felt, however, that such a proposal would be difficult to organise and could only cater for 20 or so participants and not the 200+ normally applying for the weekend. A joint Study Weekend between CCP4 and CCP11 Biosequence and Structure Analysis (SEQNET) was also proposed. After much discussion the opinion of the meeting was that Molecular Replacement was the best topic. Eleanor Dodson and Sheila Gover were prepared to organise the meeting (with assistance from Wojciech Wolf) and they were asked to prepare a draft schedule of the weekend for the next Working Group 2 meeting. Several speakers names were suggested by members for the Study Weekend. Discussion then turned to a suitable venue for the Study Weekend since it was felt that the facilities at Daresbury are inadequate and the overflow into the coffee lounge was inappropriate to the meeting. Two other venues have been investigated: Chester College and the Lord Daresbury Hotel, both of which have facilities for up to about 350 people. Chester College provides an appropriate Lecture Theatre and accommodation on-site in student study-bedrooms but could only offer two weekends over Easter (April 10/11th or April 24/25th) since the accommodation is unavailable in term time. The Lord Daresbury has a large conference room but it is {\it flat}. The meeting was strongly opposed to the dates in April and felt that the end of January was the right time of year to hold the meeting and so the Lord Daresbury Hotel was selected as the venue, provided that large screens are available for audio-visual relay to the rear of the hall. Wojciech Wolf is to investigate further. Finally, the date for the Study Weekend was set as the 31st January/1st February, 1991 and Wojciech Wolf reported that he had already earmarked \pounds12,500 towards the running costs from CCP4 funds. 4. {\it ESF/CCP4 Workshop at Heidelberg} Eleanor Dodson provided a report on the meeting at Heidelberg, organised by David Wild, on keywording of the CCP4 software and an X-Windows interface. David Wild has written an article on the workshop, which is to be published in the Newsletter. The workshop produced a list of 18 common keywords and their definitions --- Peter Daly distributed a preliminary definition of these and their syntax written in BNF notation. Lynn Ten Eyck is reported as designing a tool to produce menus from syntax diagrams. The discussion merged somewhat into the next item on the agenda. 5. {\it Phil Bourne and the Crystallographic Workbench} Phil Bourne is now ready to release the Crystallographic Workbench software. Essentially, this is a workstation-based system using his Workbench Control Language (WCL) to provide an interface to software from CCP4, Hendrickson's Laboratory and other sources. He wishes to distribute some of the main programs of CCP4 with his Crystallographic Workbench and include a note detailing how users can obtain the full suite from Daresbury. The mood of the meeting was that the test suite is an appropriate example of the CCP4 software that can be distributed and welcomed and approved Phil Bourne's request. Furthermore, the general idea of the Crystallographic Workbench was considered more fully, since it is close to the work done by David wild. Phil Bourne is willing to let Daresbury become a beta-test site for his Crystallographic Workbench. It was decided that Peter Daly will obtain the CW suite to evaluate it (in conjunction with other sites) and perhaps a closer collaboration is an appropriate development. The Crystallographic Workbench uses X and Motif. 6. {\it Proposal from Oxford Molecular} Oxford Molecular have proposed taking over CCP4 and commercialising the software --- full details are not yet known but the suggestion is that Oxford Molecular will upgrade the programs and documentation and provide telephone `hot-line' support. The suite would remain free to academic institutions and typically 25\% of royalties from commercial receipts would be passed back to CCP4. The meeting felt that any such proposal should be strongly resisted --- the greatest strength of CCP4 is the deposition of software and this would cease under commercial arrangements. 7. {\it Extension of CCP4} Wojciech Wolf reported that Professor Blow, as Chairman of Working Group 1, is preparing a submission for the renewal of CCP4, which runs out in December. This should be ready for the autumn. 8. {\it Newsletter} Wojciech Wolf reported that Newsletter is in the process of being reproduced and will be distributed shortly. It was suggested that another Newsletter should be produced in the autumn and members were asked to canvas their institutions for contributions. 10. {\it Space Group generality within CCP4} Wojciech Wolf thought that .... ? 11. {\it Group Reports} Don Akrigg has released Darren Flower's modifications to John Priestle's RIBBON software - it was unclear whether the corrections have been made to the newer version of the suite that John Priestle has released. Ian Tickle reported that he has supplied a set of refinement programs to CCP4 for the VAX. Francesca Young reported that the test suite has been ported to the IBM RS/6000 and works well apart from a slight problem with the FFT program, which is being fixed. Both Kim Henrick and Peter Daly have made changes to the suite in terms of installation and startup --- they disagree on the details and will come to a mutual agreement at the meeting in Cambridge in April (see below). 12. {\it Any Other Business} Phil Evans raised the question of Graphics Standards within CCP4 and the use of John Campbell's XDL\_VIEW routines. The situation was that PLOT84/PLOT9X are in use but only support Tektronix and the meta-file, users then use a program called pltdev (written by Peter Daly) to translate the meta-file to PostScript, HPGL ot Tektronix. However, this system is to be unsupported in favour of VOGLE, a public domain graphics package for line drawing that deals with PostScript, Tektronix, HPGL and X-Windows. Peter Daly reported that he has shipped this to the VAX and it works. Several members were unaware that this package is available on the Daresbury Info-Server. It was stressed by Kim Henrick that this is a line drawing package only and that to display bit-mapped data the John Campbell's XDL\_VIEW routines are better. John Campbell raised the question of the implementation of MTZ since some of the Laue software use LCF files. It was agreeed to hold a workshop at MRC during the week 22nd--26th April and Sandra will be encouraged to complete her work in time for this. A list of people to be invited was drawn up to include Phil Evans, Wojciech Wolf, Kim Henrick (organiser), Sandra McLaughlin, Eleanor Dodson, Peter Daly and Francesca Young. 13. {\it Venue and date of next meeting} {\sc\small A date for the next meeting was set for Wednesday the 12th June, 1991, at Birkbeck College, London, for 11-15 am.} \bigskip \medskip \centerline{W. Wolf (Secretary)} \end{document} % End document