\def\Ang{\thinspace\AA} \def\Angsq{\Ang$^2$} \def\percent{\thinspace\%} % \magnification = \magstep1 \font\bfbigten=cmbx10 scaled\magstep1 \font\bfbignine=cmbx9 scaled\magstep1 \font\itbigten=cmbxti10 scaled\magstep1 \font\scbig=cmbx7 scaled\magstep1 \font\sc=cmr7 \font\scl=cmr7 scaled\magstep1 \hoffset .46 true cm \voffset .46 true cm \hsize 16.0 true cm \vsize 23.0 true cm % % \baselineskip=12pt \normalbaselineskip=12pt % \outer\def\section#1\par{\vskip0pt plus.3\vsize\penalty-250 \vskip0pt plus-.3\vsize\bigskip\vskip\parskip \message{#1}\centerline{\bf#1}\nobreak\smallskip} % \outer\def\subsection #1 #2\par{\medskip\centerline{#1 \it#2}\nobreak\smallskip} % \outer\def\subsubsection #1 #2\par{\medskip\leftline{#1 \it#2}\nobreak\smallskip} %\raggedright \centerline{\bf MINUTES OF A MEETING OF WORKING GROUP 1 OF CCP4} \centerline{\bf WHICH WAS HELD AT DARESBURY LABORATORY} \centerline{\bf ON 25th JANUARY 1991} \bigskip \noindent Present: \medskip $$\vcenter{ \halign{#\hfil&\qquad#\hfil\cr David Blow (Chairman) &Imperial College\cr Peter Artymiuk &Sheffield University\cr Guy Dodson &York University\cr Phil Evans &MRC, Cambridge\cr John Helliwell &Manchester University\cr Kim Henrick &MRC, Cambridge\cr Neil Isaacs &Glasgow University\cr Peter Lindley &Birkbeck College\cr David Moss &Birkbeck College\cr Hilary Muirhead &Bristol University\cr Colin Nave &Daresbury Laboratory\cr Tony North &Leeds University\cr David Rice &Sheffield University\cr Lindsay Sawyer &Edinburgh University\cr Herman Watson &Bristol University\cr Wojciech Wolf (Secretary) &Daresbury Laboratory\cr }}$$ \bigskip \medskip {\rm Apologies from Pauline Harrison, Brian Sutton and David Stuart. \bigskip {\it 1. The minutes of the meeting of 26th January 1990 were agreed} \medskip \medskip {\it 2. New member of the Working Group 1.} \medskip The Chairman welcomed Dr. Peter Lindley a new representative from Birkbeck to the CCP4. Dr. Peter Lindley replaced Professor Tom Blundell who has recently been appointed as Head of the AFRC and resigned his position on CCP4. \medskip {\it 3. New Secretary to the CCP4} \medskip The Chairman welcomed Dr. Wojciech Wolf to the meeting as a new Secretary of the CCP4. \medskip {\it 3. CCP4 Funds} \medskip Wojciech Wolf presented the short summary of the current state of the CCP4 funds (report is enclosed to the minutes). He pointed out that despite the large subsidy to the Study Weekend there are still funds available and asked for the approval of proposed purchase of a new disc for the CCP4 info-server. The purchase was already approved by the Working Group 2. Working Group 1 agreed that a new disc would help to maintain and improve the CCP4 Bulletin Board, a service which enjoys the growing popularity within the CCP4 community and approved the proposal. Phil Evans stated that the general subsidy to the Study Weekend to decrease the meeting fee should be continued in the future. David Blow suggested that the general financial policy should be to spend all the incomes within the current financial year. There was a short discussion on the charge, which companies should pay for the CCP4 software. David Blow stated that we should keep the price below the price of commercial software. David Rice described the suggestion of the Working Group 2 (see the minutes of the WG2 from 9th of January 1991). The group accepted a join fee 4000 Pounds for both the VMS and UNIX versions of the suite and then update fee of 2000 Pounds which entitles the company to two update tapes per year. However the fees should be reconsidered when the new version of the package with MTZ files, new keywording and possible X-windows will be ready. \medskip {\it 4. CCP4 Support by SERC} \medskip David Blow reported that the last renewal of the CCP4 was for the years 1988 - 1991. Colin Nave stated that Dr. Paul Durham, the Daresbury Laboratory representative to the CCP Steering Panel, was investigating the procedure of renewing the CCP4. He said that permanent staff are paid directly by Science Board Computing Committee. David Blow, as Working Group 1 Chairman is eligible to attend the CCP Steering Panel. Unfortunately he could not attend the last meeting as the date was changed at short notice. A general meeting for the CCP's has been suggested. It was felt that this might not be of major interest to CCP4 members. However, it would be useful if at least one CCP4 representative attended such a meeting. \medskip {\it 5. International Collaborations and Future CCP4 Activities} \medskip There was a general feeling during the meeting that CCP4 is now becoming a very international project and all the most important improvements to the package planned in the future involved international collaboration. The cooperation within the European Science Foundation Network of Crystallography of Biological Macromolecules was pointed out. ESF is directly funded by national science foundations. The Network was renewed in July 1990 for the period of three years. It provides money for arranging meetings and workshops. The largest one was organized in Como (Italy) last year. The next meeting will be held also in Como 13th-16th of May 1991. The Network also stimulates a number of courses and workshops, like the European Workshop on Laue Crystallography which was held at Daresbury in October 1989. Phil Evans will be organizing a data collection course at Cambridge in February 1992. David Rice reported on the cooperation with Lynn TenEyck. The San Diego Group was awarded 3 years NSF grant to coordinate developing of the crystallographic software. During the summer meeting in Bischenberg there were discussions between CCP4, ESF and NSF workers. Lynn TenEyck representing a group of researchers from UCSD, SDSC and RISC, who hold a 3 years grant from US-NSF, made an offer of resources in people towards a protein crystallographic package of programs. He was working under restraints that he had to show progress within a two years timescale and was keen on cooperation with CCP4. The cooperation should lead to overall improvement of the CCP4 suite. There is a meeting planned at EMBL Heidelberg organised by David Wild on the common keywording and user interface using X-windows to the CCP4 package. Phil Evans described the joint work with ESF on the new MTZ format input files which should replace the old LCF files. He also stated that of all the groups working on the protein crystallography programs the position of the CCP4 within UK seems to be the most stable one. There was expressed a general feeling that as CCP4 is becoming much more international project than it used to be in the past and some of the CCP4 funds should also be used to subsidize our overseas partners. Overseas collaborators of the CCP4 should also have their representative (representatives ?) in the Working Group 1. David Blow was asked to select a proper person. Phil Evans pointed out that we should encourage the people (also from abroad) to work on the programs in UK. The meeting agreed with Tony North suggestion that CCP4 funds should be used to make available the foreign speakers invited to the Study Weekend to visit crystallographic laboratories within UK before or after the Study Weekend. Protein crystallography groups who wish to have a short-term visit from a foreign scientist currently visiting the UK can also apply for support to the CCP4. Letters should be directed to the CCP4 Secretary. The Meeting agreed to allocate 2500 Pounds in the next financial year for this purpose. \medskip {\it 6. The Study Weekend} \medskip Wojciech Wolf reported that the maximum number of participants which can be accommodated at Daresbury was 220. There were approximately 240 applications (including invited speakers) to the meeting. The organizing committee had to make selection and in agreement with the heads of the largest crystallographic groups in UK refused about 20 applications. The Study Weekends attracts increasing number of participants, also from abroad (about 50 this year) and to cope with growing demands it seems to be necessary to change the venue of the meeting. David Blow suggested Chester, John Helliwell Manchester University but also Liverpool was considered. David Blow pointed out that despite the growing number of participants we should try to maintain the efficient organization of the Study Weekend. The meeting appreciated the very good work of the Daresbury Conference Office. It was the general feeling that, regardless of the venue, the Study Weekend should continue to be organized by Daresbury Laboratory. \medskip {\it 6. Suggestions for the next Study Weekend} \medskip Phil Evans pointed out that he wished to address the question to all the participants, what should be the topic of a next Study Weekend. David Rice presented the suggestions of Working Group 2: molecular graphic, improvements of electron density maps, data collection, refinement, molecular replacement and crystallization. Peter Lindley reported that there will be meeting organized at Birkbeck in April(?) 1992 on the data collection. David Blow asked for cooperation in data base sequence analyses. He suggested a meeting on structure comparison, possible in cooperation with the CCP11. Tony North supported the idea of recycling some topics. Phil Evans suggested molecular replacement for recycling. Guy Dodson proposed combining several methods eg. direct methods in protein crystallography and maximum enthropy. Lindsay Sawyer suggested a practical computing under UNIX. He stated that it would be nice to know what is the most advisable version of the graphic system for the future. Kim Henrick answered that for running simple program there is no difference between machines. There is a problem with graphic standard. He advised to wait until the situation on the market will be clarified. \bigskip \medskip {\scl A date for the next meeting was set up for 9-00 of the first day of the Study Weekend} \bigskip \bigskip \centerline {W. Wolf} \centerline{(Secretary)} \bye