ISSN 1467-2790 CRYSTALLOGRAPHY British Crystallographic Association NEWS No. 87 December 2003

BCA Spring Meeting - UMIST 2004 p15 - 19 Reports from ECM Durban p7 - 12

Growing a Diamond p13 - 14 William Cochran 1922 - 2003 p25 - 26 Book Reviews p22 - 24 QUARTERLY Contents December 2003 Contents BCA Administrative Office, Northern Networking Ltd, 1 Tennant Avenue, From the President ...... 2 College Milton South, East Kilbride, Glasgow G74 5NA Council Members...... 3 Scotland, UK Tel: + 44 1355 244966 Fax: + 44 1355 249959 From the Editor/Corporate Members ...... 4 e-mail: [email protected] Communications to the Editor ...... 5

Euan Woodward ...... 5 NEXT ISSUE OF CRYSTALLOGRAPHY NEWS Prizes ...... 6

CRYSTALLOGRAPHY NEWS is Published quarterly (March, June, Puzzle Corner ...... 6 September and December) by the British Crystallographic Durban ...... 7 - 12 Association. Submissions on any subject related to crystallography are most welcome. If possible, BCA Spring Meeting 2003 Accounts ...... 12 please send text electronically without special formatting. Diamond ...... 13 - 14 Pictures are most welcome, but should be sent as separate, graphic files. Items for inclusion in BCA Spring Meeting 2004 ...... 15 - 19 the March 2004 issue should reach the Editor by 25 January 2004. Protein Structure Workshop ...... 20 - 22

BOB GOULD 33 Charterhall Road Book Reviews ...... 22 - 24 EDINBURGH EH9 3HS Tel: 0131 667 7230 E-mail: [email protected] Obituary - Bill Cochran ...... 25 - 26

Patenting Software...... 27 - 28 The British Crystallographic Association is a Registered Charity (#284718) Young Chemists ...... 28 - 29 As required by the DATA PROTECTION ACT, the BCA is notifying members that we store your contact information on a computer database to simplify our administration. These details are not divulged to any EUROMAT 2003 ...... 29 - 30 others without your permission. You may inspect your entry during the Annual Meeting, or otherwise by application to the BCA Administrative Office. We will be happy to amend entries at any time. CCG Group...... 30

Meetings of Interest ...... 31 - 32 COVER PICTURES (left to right)

This is a crystallography text? p.23 And finally ...... 33 There’s diamond in them thar hills p.13

Crystallographers at Durban? p.7

Farewell to a well-kent face p.5

See you in Manchester p.15 p23 p13 p7 p5 p15

1 From the President December 2003

largely consist of talks/contributions who had also attended a satellite President’s Remarks from them. This is partly a meeting “up country” beforehand. successor to the highly successful Next year’s ECM returns to “oral poster” sessions, but also an continental Europe, and will be experiment in empowering the held in Budapest in late August. many Young Crystallographers who already contribute vigorously to the On a more organisational note, you BCA and allowing them more of an will have noticed from a recent active role within the Spring circular that we have apparently Meeting. We will also take this lost some members this year. We in opportunity to revive the Lonsdale Council are sure that much of this lecture, which has not been given apparent loss is forgetfulness on for several years. This fits extremely the part of some of our members. well, since the original vision for Let me reiterate that a strong that lecture was for it to be membership is vital to the BCA and delivered to an audience of what we are trying to achieve in younger people. We hope that the terms of projecting UK You will find in this issue of Young Crystallographers meeting crystallography. So if you know of Crystallography News the outline will also provide an important focus someone who has not renewed programme for the 2004 BCA for those arriving early for the main their BCA membership, please Spring meeting, to be held in meeting. remind them that they are valuable Manchester next April. I am sure to us, and also that we believe the you will agree that an interesting I would like to note (though continuing low level of our general and diverse programme is forming, probably too late to encourage you membership fees make the BCA a and hopefully you will find plenty to attend by the time you read this) real bargain to join! On the there to tempt you along to UMIST. the extremely strong set of Autumn membership note, it was agreed at Why not also spread the word to meetings organised by the subject Council in September that we colleagues who would not normally groups. In parallel with our overall would try to set up a network of attend the Spring Meeting, to help focus of the Annual Spring contacts out there in University us grow the meeting as an annual meeting, these group meetings are Departments, who will hopefully focus for crystallography and one of the main academic outputs help us in targeting likely members related structural science in the UK. of the BCA, and I would hope to and in publicising BCA activities. The Plenary/Review Symposium continue seeing the successful Our local BCA Reps can really play theme this year is Catalysis in its science and strong attendances at an active role in helping to many guises, and it is anticipated these meetings. promote what we do, in terms of that this theme will be developed our charitable Education remit, our in further sessions, including some Speaking of meetings, it was clear organisation of a range of diverse relevant talks in aspects of the that the UK presence at the ECM-21 scientific meetings, and generally Molecules in Medicine sessions. in Durban was significant and promoting and projecting UK Suggestions of topics or sessions for prominent. After some teething crystallography. We will be aiming our Spring Meetings are always troubles the conference was to set up this network of Reps welcome, and we will be pleased to generally enjoyed by the 500 or so soon, volunteers are of course most hear your ideas. The 2005 SM, delegates present. This number is welcome! incidentally, will be held at of course lower than usual for an Loughborough, in the excellent ECM, which is largely explained by Finally, we have slightly updated conference facilities at the the remoteness of the location from our presence on the Web, and the University there. the European mainstream. BCA Web pages can now be However, our South African hosts accessed through You will also note that on the day are to be thanked for working so www.crystallography.org.uk, which before the SM, we are planning a hard to make the meeting a success, seemed to us rather appropriate for Young Crystallographers satellite in particular Jan Boeyens and Andre the UK organisation for meeting. The details of this are still Roodt. The cultural experiences of crystallography. being formed, but will be organised South Africa were a much by our younger colleagues and appreciated bonus for this delegate Chick Wilson

2 Council Members 2003-2004

BCA Council Members Group Representatives Webmaster Dr Jeremy K. Cockcroft 2003 - 2004 Biological Structures School of Crystallography Dr. Andrea Hadfield Birkbeck College President (2006) Department of Biochemistry, Malet Street Prof. Chick Wilson, University of Bristol LONDON WC1E 7HX, Rutherford Appleton Laboratory, BRISTOL BS8 1TD, tel: 020 7631 6849 ISIS Facility, tel: 0117 928 7436, [email protected] CHILTON OX11 0QX [email protected] tel: 01235 82 1900 ext 5137 or 01235 44 5137 Chemical Crystallography Group Chairmen [email protected] Dr Harry Powell MRC Lab. of Molecular Biology Biological Structures Group Vice President (2004) MRC Centre Dr. Richard Pauptit Prof. Paul Fewster Hills Road Protein Structure Lab PANalytical Research Centre CAMBRIDGE CB2 2QH AstraZeneca, Sussex Innovation Centre tel: 01223 402423 Mereside, Science Park Square [email protected] Alderley Park, University of Sussex MACCLESFIELD SK10 4TG, Falmer, BRIGHTON BN1 9SB Industrial tel: 01625-516135 tel: 01273 704422 Prof. Christopher S. Frampton [email protected] [email protected] Crystallography Strategic Marketing Manager, Chemical Crystallography Group Secretary (2004) Bruker Nonius B.V. Dr Alexander J. Blake Dr. Christine Cardin Oostingel 209, School of Chemistry, University of Reading University of Nottingham Dept of Chemistry 2612 HL Delft, The Netherlands University Park Whiteknights tel: +31 (0)15 215 25 19 NOTTINGHAM NG7 2RD READING RG6 6AD [email protected] tel: 0118 9318215 Tel. 0115 9513488 [email protected] Physical Crystallography [email protected] Dr John Evans Treasurer (2006) Department of Chemistry, Industrial Group Mr. David J. Taylor University of Durham, Prof. Christopher S. Frampton 35 Birchley Road, DURHAM DH1 3LE, Crystallography Strategic Billinge [email protected] Marketing Manager, WIGAN WN5 7QJ Bruker Nonius B.V. tel: 01744 893108 Oostingel 209, [email protected] 2612 HL Delft, The Netherlands Co-opted Members tel: +31 (0)15 215 25 19 Immediate Past-President (2004) [email protected] Prof. Chris J. Gilmore Prof. P. Barnes, Department of Chemistry Department of Crystallography, Physical Crystallography Group University of Glasgow Birkbeck College, Dr P.A. Thomas GLASGOW G12 8QQ Malet Street, Department of Physics tel: 0141 330 3716 LONDON WC1E 7HX University of Warwick [email protected] tel: 020 7631 6817 COVENTRY CV4 7AL [email protected] tel. 0113 233 2538 Ordinary members [email protected] Dr Alexander J. Blake (2006) Professor John Helliwell School of Chemistry, Department of Chemistry, Full committee details on the University of Nottingham University of Manchester, BCA website University Park MANCHESTER, M13 9PL http://bca.cryst.bbk.ac.uk/BCA/ NOTTINGHAM NG7 2RD Tel. 0161 2754686 Tel. 0115 9513488 [email protected] [email protected] ACKNOWLEDGEMENTS: BCA Sponsors Dr Elspeth F. Garman (2006) The British Crystallographic Laboratory of Molecular Biophysics Ex-officio Members Association is grateful to Birkbeck Rex Richards Building College, University of London, University of Oxford Editor “Crystallography News” South Parks Road Dr Robert Gould who host and manage the server OXFORD OX1 3QU 33 Charterhall Road for our website. Tel. 01865 275398 EDINBURGH EH9 3HS [email protected] Tel: 0131 667 7230 [email protected] Dr Peter C.E. Moody (2006) Department of Biochemistry Education Officer Adrian Building Mrs K.M.Crennell University of Leicester ‘Fortran Friends’ University Road P.O.Box 64 LEICESTER LE1 7RH DIDCOT OX11 0TH, Tel. 0116 2523366 tel: 01235 834 357 Email [email protected] [email protected]

3 From the Editor Corporate Members

reports from our Bursars at bye to Euan Woodward, who has Editor’s Remarks various meetings. Many thanks moved from Northern to them for the reports they Networking. I should like to write! The major express my personal gratitude to crystallographic event since the him for his great good cheer and last issue was undoubtedly the ready help with matters relating ECM in Durban. As the President to Crystallography News. says, the British contingent was very prominent, and we have I have now completed two years reports from a few younger as Editor, and again want to crystallographers at this meeting. express thanks to all who write There should be more in the for us – sometimes even without March issue. prodding! If you have an idea of something interesting, do let me Sadly, we have to report the know about it – our acceptance death of one of our honorary rate is far higher than Nature’s! members, Professor William Comments about the appearance Welcome to the December Issue Cochran, who combined of the magazine are also most of Crystallography News. As the brilliance with gentleness in a welcome, and there are some in group autumn meetings have wonderful degree. Michael this issue. Please let us know not yet taken place as we go to Woolfson has written an what you think. press, there is little to report obituary in this issue. In another locally, but we have some lively sense we are also saying good- Bob Gould

Corporate Members BCA Corporate Membership

Anachem Ltd The BCA values its close ties with commercial companies involved with crystallography. To enhance these contacts, The BCA offers Astex Technology Corporate Membership. Corporate Membership is available on an annual basis running from 1 January to 31 December and includes Bede Scientific Instruments Ltd the following benefits:

Bruker/Nonius •Up to 10 free BCA memberships for your employees. Chemical •A 10% discount on exhibition stands at the annual Spring Meeting. Computing Group •Free insert in the annual Spring Meeting delegate bag. Cambridge Crystallographic •Two free full registrations to the annual Spring Meeting. Data Centre •Ten complimentary copies of the quarterly BCA Newsletter. deCODE genetics • Corporate Members will be listed in every BCA Newsletter (Emerald Biostructures) and on the BCA Web Site with links to your corporate site. Hampton Research The cost of this membership is £600.00 per annum International Centre for Diffraction Data To apply for Corporate Membership, or if you have any enquiries, please contact: Oxford Cryosystems BCA Administrative Office Oxford Diffraction Northern Networking Ltd PANalytical 1 Tennant Avenue, College Milton South East Kilbride G74 5NA Rigaku MSC Phone 01355 244966 Fax 01355 249959 e-mail [email protected]

4 Communications to the Editor December 2003

Communications to the the Association which is now stamps” are now given a page Editor from Dr Jeremy much less prominent and legible number, and they will stay on from a distance. page 1. The “astronomical Karl Cockcroft and Mrs background image” is actually Kate Crennell I have never liked the thoroughly terrestrial, and is part “astronomical background of an area-detector exposure. It Dear Bob, image” because I do not has had a good innings – does While going through my old know what it represents. The anyone have a good idea for a copies of Crystallography News large logo is not an accurate replacement? recently, I decided to scan in the representation of the BCA Logo, front covers. While doing so I it was clearly redrawn by Bob Gould was struck by the fact that the someone who did not appreciate new A4 size ones look nice and its crystallographic significance, glossy (and colourful being in instead of using the vector bold colours), but lack impact drawn logo I sent to Chris and curiosity value. In the older Gilmore for the BCA flag for A5 versions, the picture on the IUCr99 in Glasgow. front was a story leader that was an encouragement to open the The trouble with the 'postage front cover. In the A4 version, stamps' on the cover is that they this has now been relegated to a are too small to see much detail, series of postage stamp sized so they are not eye catching and pictures at the bottom. Much of there is nothing in the Contents the discussion in Council in to indicate where you can read September 2000 (I think) more about the topic. There is concerned whether the magazine usually something somewhere, should be A5 versus A4, glossy but its position changes from Euan Woodward versus matt, and little was issue to issue; it was in different discussed about cover content. In places in the June and September Euan joined Northern fact, I actually opened more of 2003 issues. This makes it difficult Networking in 1999 to undertake the old ones, though I accept this for readers to know where to the social programme for the was also driven by having more look for it; they prefer to know IUCr conference which took place curiosity of distant as opposed to where to look for their favourite in Glasgow August 1999. He recent past things as well as sections, rather than have to remained with the company until curiosity about the front cover wade through a Contents page. September of this year to take story! This wouldn't matter if the page up a new life in London. Euan number where there is an article was a valued member of the NN Best wishes, Jeremy Karl. about the image, were team and over the years spent a superimposed on the little image good part of his working life on on the cover. BCA activities. Many of you will Dear Bob and Jeremy, know him from the annual I too worry about the changing Kate conferences where he became face of Crystallography News: very much part of the meeting look at no 81, June 2002 and you for both delegates and exhibitors see that the typeface used was a The Editor replies: alike. He also undertook work clear and easy to read sans-serif I was very glad to receive these on the BCA membership side and font where the line of text suggestions, and would be happy often assisted with 'CRYSTALLOGRAPHY NEWS' is to change things, if there is a Crystallography News. much the same size as 'British general feeling that a different Crystallographic Association', but cover would make The departure of Euan to new in no 85 June 2003 all the text Crystallography News more ventures down south has left now uses an old fashioned attractive, in the magnetic sense quite a gap in the NN team. looking type font with thin and of the word! As will be noted, spindly letters for the name of the captions of the “postage Gill Moore

5 Prizes Puzzle Corner

Computational Physics European Crystallographic Group Annual PhD Association: 4th European Thesis Prize Crystallography Prize Puzzle Corner This month we have a The Committee of the Institute The European Crystallographic caption competition. of Physics Computational Group Association (ECA) invites Please find the most has endowed an annual thesis nominations for the fourth interesting way of prize. £500 will be awarded to European Crystallography Prize describing what these the author of the PhD thesis to recognize a significant three distinguished that, in the opinion of the achievement or discovery in members of the BCA are Committee, contributes most crystallography in the past 5-10 doing: strongly to the advancement of years. Nominees should be Computational Physics. The two affiliated or identified with the runners up will receive £250. European crystallographic Applications are encouraged community, as broadly defined in across the entire spectrum of the charter of the ECA (see the Computational Physics. The ECA-news site www.ecanews.org) competition is open to all students whose PhD The prize, including a monetary examination has taken place in award and certificate of 2003. recognition, will be awarded at the opening ceremony of the 22nd Deadline: European Crystallography Meeting (ECM-22) to be held in Budapest, December 31st 2003 Last month’s competition had Hungary, 26-31 August 2004. a record number of entries: Value: The hidden nine-letter word The previous laureates are: £500 (first prize); was POLYMORPH. Rules for 2000 Prof. Ada Yonath, £250 (runner-up) x 2 deciding what words were Weizmann Institute of allowed otherwise were not Science in Israel Submission: given, so I have decided to 2001 Prof. Jochen R. Schneider, 4 page (A4) abstract + citation award the prize to the most HASYLAB at DESY in inventive entrant, Bev Vincent Germany Format: of Rigaku/MSC with a definite 2003 Prof. Carmelo Giacovazzo, trans-Atlantic flavour - or (max. 500 words) from PhD University of Bari, Italy supervisor should I say flavor: Nominations for the prize should Morph, Pholy (some sort of Please enclose contact details, include a statement of the rubber-based cement including an email address. contribution for which the prize product), Holy, Orly (Airport), Shortlisted candidates will be is to be awarded and a short Poly (A whitish woolly plant requested to submit an curriculum vitae of the nominee. found throughout the electronic copy of their thesis They should be sent by e-mail or Mediterranean region), Roly and references from their thesis by regular mail no later than (Roly Poly is a brand of examiners. February 28, 2004 to: sandwich), Prop, Prom (formal dance), Pro, Pry, Pop, Hop, Submission Address: Professor Anders Liljas Lop, Roy (proper nouns Prof. A.D. Boardman, Molecular Biophysics Center for allowed?), Loy (i.e. Myrna, the Joule Physics Laboratory, Chemistry and Chemical actress), Hor (Biblical - School of Sciences, Engineering, Lund University mountain on which Aaron University of Salford, Box 124, SE-221 00 Lund, Sweden Salford, M5 4WT died), Mom. Tel: +46-46-222 46 81 Editor Fax: +46-46-222 46 92

6 Durban December 2003

Bursars reports from ECM21, Durban South Africa, 24-29 August 2003.

[The Durban meeting was a most unusual ECM! Getting there was not easy, but everyone who managed the trip seemed to find it very worthwhile. In addition to the well-planned scientific programme, we enjoyed a remarkable environment and social programme, of which these pictures may bring back some memories: Editor] The Indian Ocean from the Tropicana Hotel

Some gape-park residents The multi-racial Zulu-Indian dance group

1. Sophie Dale, and of course the many shops allowed for great variety in the Loughborough and restaurants! subjects of the microsymposia. Careful planning allowed me to The bursary The satellite workshop organised attend the lectures most relevant awarded by by the CCDC, held during the to my PhD and also allowed me the BCA afternoon of the first day of the to fit in lectures on subjects that I allowed my meeting, proved worthwhile have not met since my degree, attendance attending, with the latest CCDC particularly those concerning at the ECM- products presented and the biological applications of 21 meeting opportunity to ask the organisers crystallography. The plenary in Durban, for advice on the use of the lectures were accessible to all my first ever databases they maintain. delegates, not just those working trip outside of Europe. On arrival in the specialised area, and I in Durban with my supervisor, Dr The conference programme found the lectures given by Tom Mark Elsegood, we were pleased commenced with an opening Blundell, on high throughput to find we had booked into an ceremony in which local dancers structural biology and drug excellent hotel, central to the performed a collage of discovery, and by Bill David, on facilities we would frequent in traditional dances, a delight to structure determination from the next week - the International watch. The scientific programme, powders, the most interesting Convention Centre, the beach though compacted into four days, and useful.

7 Durban December 2003

It was a pleasure, during the very The closing dinner, held in a forward to my next relevant microsymposia on large marquee, was fantastic - crystallography meeting to hydrogen bonding and structure- the food and entertainment renew the contacts I have made properties relationships, to be were excellent. As with the at ECM-21. able to attend two talks given by opening ceremony, traditional Gautam Desiraju, a African Zulu dancing was crystallographer who has presented, and, as it was 2. Robin Owen, Molecular authored many papers which “interactive”, I got dragged up Biophysics, Oxford have formed much of the to join in! The rest of the night reference material for the was thoroughly exhausting - The 21st hydrogen bonding aspects of my every time I tried to go back to European PhD. Other lectures of interest, my table, I got pulled back to Crystallo- related to work carried out the dance floor by another graphic within our research group, were gentleman for yet another Meeting given by Len Barbour and Petra dance. My toes just about was held in Bombicz, who both talked on survived; the bruises were only Durban, the host-guest chemistry of small! South calixarenes. A series of lectures Africa. The on the final day covered the Concerns surrounding delegates’ meeting was an opportunity for range of computing software safety in and around the me to attend my first available to the crystallographer conference were high, but a international conference. The as well as the latest combination of common sense location and line-up promised an developments at the EPSRC and making use of the shuttle eventful and interesting week National Service at buses provided by the ECM-21 and Durban did not disappoint. Southampton. organisers and the local taxis The week started with an meant that we were not opening ceremony hosted by the At the poster sessions, I restricted solely to the ICC and Mayor of Durban and a presented a poster entitled our hotel. Evenings were spent traditional Zulu dance which “Synthesis and Supramolecular mainly in the hotel, but I did even falling scenery could not Chemistry of the Complexes of manage to sample Durban's interrupt. the [Ru(p-cymene)] 2+ Fragment nightlife on two occasions, and Pyridinedicarboxylic Acids” strangely bumping into a fellow The week’s academic programme and also co-presented the poster Loughborough resident; now started with a session on “Synthesis and Structural that's a small world! crystallisation, though of Characterisation of particular interest to me was the Ruthenium(arene) Fragments My first visit to Africa was made afternoon session on synchrotron Bearing Hydrogen Bonding even more memorable by the radiation and radiation damage. Ligands” with my supervisor. I trip to the game reserve on the Zbigniew Dauter spoke on the had some interesting discussions final day of the conference, positive effects radiation with other crystallographers who providing perfect photography damage can have, explaining work in the area of opportunities with the animals how radiation damage induced supramolecular chemistry, and I only feet away. What will remain structural changes which can be was pleased to receive in my mind for a long time to used for phasing, while Gunnar numerous, useful comments and come is the sincere friendliness Berglund talked about how X - suggestions on our work which I of the local people that I met in ray irradiation changes the active hope to implement in the Durban; from the hotel staff to site in horseradish peroxidase. coming months. The poster the taxi driver just nipping you The session closed with Edward session also allowed students down the street, nothing was Mitchell introducing a (nearly) from all over Europe and Africa too much trouble. fully automatic beam line at the to chat informally about their ESRF. work, comparing strategies for I am very grateful to the bursary getting through the three years committee for providing me with Of direct relevance to my own successfully! the funding to make the trip to work was the session on Durban a reality, and I look diffraction image processing and

8 Durban December 2003

data quality, chaired by Eleanor Europe and head for the South day culminated in the first of Dodson. Jim Pflugrath talked African winter! My hotel didn’t two poster sessions, which was about the advantages and disappoint either, being just a catalysed by some stimulating disadvantages of different hop, skip and jump across the posters and a copious supply of detectors. Rob Hooft talked road to the Indian Ocean. Many equally stimulating wine! about data acquisition and days were going to be started by image integration and the removing the previous nights Wednesday was an action problems encountered in the excesses with a dip in the 19C packed day, which started with automation of these processes, water! the cross-disciplinary ‘Diffraction and Italian-minded Harry Powell Image Processing’ symposium. In also offered some solutions to The opening ceremony gave a my opinion one of the best and this problem. Zbigniew Dauter hint of what a conference in liveliest sessions, with some spoke again, this time on criteria Africa was going to be like when outstanding talks by Jim that should and should not be an advertising hoarding toppled Pflugrath, Rob Hooft, Harry used for assessing the quality of over onto the stage, narrowly Powell, Zbigniew Dauter & Ken diffraction data. missing one of the Zulu dancers! Shankland. A projector which refused to display any red My own presentation consisted I like ECM’s! They are an ideal certainly added to the of a poster which was entitled A duration and generally packed atmosphere! The afternoon new method for predetermining with science (5 parallel sessions ‘Structure-Property Relationship’ the diffraction quality of protein for 4 days). This was going to be session proved a great warm up crystals. The poster described a no exception…The International for part 2 of the poster session. new method which allows Conference Centre is ‘state of quantitative measurement of the the art’ and provided an ideal The final day of the scientific birefringent properties of venue, even though much of the program was to be my busiest… protein crystals, allowing technology appeared to work on The first 2 sessions were spent comparison of this optical ‘African time’! Monday started running between several quantity with the diffractive for me with two consecutive different focus areas, namely quality of the crystals. It was well sessions on Charge Density, ‘Core Chemical Crystallography’, received during both of the which were quite refreshing in ‘Indexing Powder Patterns’, ‘ poster sessions, generating a lot that they focussed on Crystallography at Extreme of interesting discussions and applications of the technique. Conditions’, ‘Structural winning the IUCr poster prize. This was split by an excellent Knowledge to Chemical Overall I very much enjoyed both Plenary from Bill David, executed Reactivity’ & ‘Polymorphism’. the formal talks and the with his usual panache! opportunity to meet and talk to Anticipating a busy schedule The final session was to be the other researchers. over the next few days I joined one in which I was to give my the rest of my research group (8 presentation in ‘Automatic of us had decided to take Structure Solution: Challenges 3. Simon Coles, Southampton advantage of the departure of for the Future’. David Watkin the ECM to the southern gave a typically compelling talk After 18 hemisphere) on a rather exciting on how his team are introducing hours in boat trip round the harbour! chemical intuition into his transit I refinement software, ‘CRYSTALS’. found Tuesday morning was spent Louis Farrugia then myself ducking and diving between demonstrated the capabilities of walking selected talks in various different his GUI which interfaces to a across the sessions, the highlight of which whole gamet of crystallographic tarmac of was the inimitable Lachlan tools. It was now my turn…I Durban Cranswick’s symposium on outlined our work on the International airport in 25C heat programming. It was at this intersection of a number of at 9am. It occurred to me that it point that the exhibitors saved projects which is aimed at hadn’t been such a bad idea to the day by stepping in to automating the entire chemical leave the current heat-wave in sponsor the coffee breaks! The crystallography experiment and

9 Durban December 2003

introduced a novel approach to Pflugrath (Rigaku/MSC, USA), crystal may exhibit a range of a user interface for a web-based who focussed on the properties spot shapes because of factors interactive crystallography of modern area detectors and such as oblique incidence of the service. Ton Spek closed the their relative advantages and diffracted beam on the detector proceedings by showing us the disadvantages. CCD detectors or 1-2 splitting. In the automatic solution and are ubiquitous in small molecule fundamental parameters refinement procedures of applications, and are now approach, reflection profiles are SYSTEM-S, -a module of the becoming more common for derived directly from the shape infamous PLATON. macromolecular structure of the source, the wavelength determinations. These detectors profile of the radiation, the The conference dinner was a have a short readout time, in the crystal shape and its mosaicity. typically African affair, - held in a range 1-10 s, with pixel sizes in Since both the distribution of marquee in a slightly worrying the range 50-150 m. However, neighbouring reflections and the area of Durban. The atmosphere they have a lower dynamic range reflection profiles are well was generated by a backdrop of than image plates, and are easy understood, so too is the exotic spit roasting animals and to saturate; they also show some background. This applies even in provided such delicacies as energy dependence in their difficult cases, such as twinned or warthog and ostrich stew as well response. Image plates have incommensurate crystals. The as a fancy dress safari jacket for been used, particularly by wealth of background everyone! The free-for-all macromolecular information available on an area dancing session was preceded by crystallographers, for many years detector means that elaborate some entertaining interactive now. Their 'traditional' models can be constructed, Zulu dancing. The final (and disadvantage, relative to CCD leading to improved estimates of perhaps best) feature of the detectors, of a long readout time standard uncertainties. conference was the excursion has recently been addressed, and visit to a private game park, - may be as short as 10 s. They Harry Powell (MRC-LMB, which was superb! have a much higher dynamic Cambridge, UK) described the range than CCDs, so that both software written as part of the It was going to be very difficult strong and weak data may be DNA project, which aims to to return to Europe and have to reliably recorded on the same automate data collection and adjust to working on ‘real time’ image. They also exhibit little processing. This is of particular as opposed to African time! On energy dependence in their importance at synchrotron beam- the whole this meeting was an response, and they do not require lines. The data collection part of eye opening experience and I am cooling. Image plates are the program is based on decisions indebted to the BCA for partial therefore becoming more that might be made by an support of my travelling competitive with CCDs, and experienced crystallographer expenses. modern developments include after evaluation of crystal quality addition of some iodine to the and determination of the unit phosphor to improve absorption, cell. For example, the software ECM 21 more powerful lasers to improve automatically selects a crystal to and expedite erasure and curved detector distance, exposure time Diffraction image image plates. and scan range. Crystal decay processing and data and data quality are monitored quality Rob Hooft (Bruker Nonius BV, during data collection. The Delft, The Netherlands) described program MOSFLM forms the data This symposium was held on the EVAL series of programs processing part of the DNA Wednesday 26th August. The (EVAL14, EVAL15 and EVALCCD) software. Once again, the aim is presentations addressed image which encode a fundamental complete automation and the processing and data quality in parameters approach to program can index an image, single crystal and powder integration. Although reflections assess mosaic spread, refine the diffraction, and covered both may be accurately located on a cell constants and integrate the macromolecular and small detector, determination of their data all without user molecule applications. The first shapes and boundaries is much intervention. SCALA is used for presentation was given by Jim more difficult. Even a spherical final scaling and merging. Initial

10 Durban December 2003

tests show that DNA works well Kenneth Shankland (RAL, Chilton, ECM-21 Durban - for 'normal' crystals; the modular UK) spoke about data quality Review of Session : design of the program will issues in powder diffraction, facilitate the incorporation of particularly as they relate to ‘Structure Determination extra functionality. structure solution. Powders are from Powder Diffraction studied not only because a Data (SDPD)’ Zbysek Dauter (Brookhaven material may only be available in National Laboratory, Upton, USA.) this form, but also because a discussed how data quality may compound will usually be used in Only ten or twelve years ago the be assessed. Complete coverage this form in industrial processes. first ‘unknown’ small molecule of reciprocal space is extremely Analysis is hampered by the crystal structures had just been important and depends on the overlap of symmetry inequivalent solved from powder X-ray data. symmetry of the lattice. The data reflections with similar d-spacings, The availability of the ‘LeBail’ collection strategy needs to be though collection of data at extraction procedure had made the considered very carefully. For several temperatures can area amenable to those structural example, though a 90° rotation separate out overlapped peaks chemists, like myself, who had no is in principle enough to measure caused by anisotropic thermal background in theoretical a complete data set from a crystal expansion. Much depends crystallography or software in point group 222, if the though on measuring data with development, and were prepared rotation is started from a position good statistics. One way in which merely to plug away with existing half way between the two-fold this can be achieved is to use a ‘single crystal’ direct methods axes the data completeness may variable counting time for data algorithms, and happily spend a be as low as 60%. Some collection, so that data at high week or two chasing a structure reflections may never fall into the angle may be measured for some with ten or so non-H atoms. diffracting position, though this 20 times as long as those at low problem may be minimised by angle. If good data are available, Since then the field has been off-setting a symmetry axis from however, even relatively subtle revolutionised! This fact was the axis of rotation. Analysis of effect such as the orientation of a further emphasised at the Durban meeting with, in addition to an the quality of the intensity sulfonamide group (-SO2NH2) can measurements and their be determined. Recent oral and poster session devoted to associated standard uncertainties innovations at the ESRF on beam- the technique, a prize-winning may be achieved with a range of line ID31 (previously ID16) mean poster from Andrea Docherty statistical descriptors. The that data suitable for structure (Strathclyde), a Plenary lecture by Bill David and the ECA Prize- conventional Rmerge is actually solution can be obtained in only rather a poor measure because it a few minutes. However with the winning lecture itself, by Carmelo tends to improve as redundancy move from a bending magnet to Giacovazzo. increases. Better measures are an undulator, the beam intensity Professor Giacovazzo divided his those such as Rmeras, Rrim and is now so great that radiation talk into two themes at the Rpim, which have been given by damage is a serious problem even Diederichs & Karplus and Weiss & in such short exposure times, and extreme scales of molecular Hilgenfeld. These tended to be procedures for minimising this, crystallography – i.e. underused though, possibly for example summing of many macromolecular and powder because they adopt numerically quick scans, are currently under crystallography, both of which have the challenge of ‘insufficient higher values than the Rmerge active investigation. statistics that people are used to. data’ to overcome. He described Other measures have been The organisers would like to recent developments in the EXPO designed specifically for thank the speakers for five suite optimised for structure anomalous data sets. Finally, excellent presentations. solution from powder data. Bill though high redundancy is David’s talk, as usual visually generally a Good Thing, merging Simon Parsons and Eleanor superb and scientifically together of data after significant Dodson enlightening, provocatively crystal decay could degrade the suggested that the ‘100-atom’ quality of a data set. threshold from powder data was now a realistic target. After

11 Durban Spring Meeting Accounts

reviewing the dramatic advances atom organic structure with Z’=4, Final Accounts made in both data collection for which virtually all non-H atoms BCA Spring Meeting methodologies and structure were revealed directly from the solution software in recent years, first E-map. Third up was Vincent 2003 University of York Bill gave examples of complex Favre-Nicolin (Grenoble), who INCOME £ structures which are now presented recent developments in ‘regularly’ (though not yet his FOX program, which uses Sponsorship 4,553.74 ‘routinely’?) solved. Around 92% direct space, global-optimisation Registration 41,694.53 of the structures in the Cambridge methods to circumvent the peak Exhibition 15,899.40 database fall below the ‘100- overlap problem. FOX is Bursary 960.00 atom’ limit, and may therefore ‘in specifically optimised to tackle principle’ be amenable to solution extended lattice structures as well Total 63,107.67 from powder data! as molecular ones, and several new features have been EXPENDITURE The oral session was chaired by introduced of late even though Accommodation Lynne McCusker and Gerd Kruger, Vincent is only pursuing this as a & Meals 16,939.80 and consisted of four invited talks. ‘hobby’ in addition to a full-time The first was given by Christian position in a different field! Facilities 10,757.70 Baerlocher (ETH, Zurich), who Finally, Celeste Reiss (PANalytical) Catering 3,490.88 described the deliberate and presented recent results on two Social Event 1,275.70 systematic exploitation of ‘texture’ complex organic molecules solved BCA Speakers Expenses 2,906.02 in a sample to unravel more from lab-based diffractometer optimal structure factors from data. Optimal strategies for data Refunds 2,282.00 very severely overlapping powder collection, including sample Abstract Book 2,765.45 data. Use of transmission mounting and use of a new, rapid NN Fee 10,107.35 geometry, an area detector and a RTMS detector were emphasised. Administration 3,152.60 synchrotron source are all key to Stationery & copying 215.29 the success of the method, which These talks, together with a can provide 1296 different related session which showed Bursaries 4,960.00 some impressive developments in powder patterns from one Total 58,852.79 overcoming one of the other sample! Ten years ago, this would TOTAL INCOME 63,107.67 have been our worst nightmare - major problems in SDPD, that of TOTAL EXPENDITURE 58,852.79 now it is so useful that it has initial powder pattern indexing, already allowed Bill David’s 100- highlight the current strength and MEETING SURPLUS atom threshold to be broken, with vitality of this field. Casual ‘users’ (-DEFICIT) 4,254.88 the solution of a 117-atom zeolite like myself look forward to the day when all of the current structure, UTD-1! The second Ms C Myers The University of York developments in indexing, direct lecture was given by Jon Wright Mr D J Taylor BCA Treasurer methods and real-space methods (ESRF, Grenoble), who spoke on October 2003 another clever, and as yet not are incorporated into one grand, regularly used, experimental unified, user-friendly (and free!) Note: These accounts include method to remove some of the package which will allow SDPD to become genuinely ‘routine’. transactions made through the ambiguity from powder data - University of York and the BCA accounts anisotropic thermal expansion. All-in-all, this was scientifically a The method relies on Treasurer’s Note: The major good conference and despite, or contributions to the surplus were: simultaneous extraction of ‘the maybe because of, the somewhat same’ set of F’s from a series of variable quality of some of the 1. A 25% discount on catering because patterns collected over a local ‘hospitality’, one which I shall the kitchens were closed in the temperature range of 100ºC or so, certainly remember for a long allocated accommodation halls and we where key overlapping reflections had to stroll in the sunshine to a distant time to come! I would like to hall for meals. are systematically separated due thank the PCG for a contribution to anisotropic cell variations. As an towards the meeting costs. 2. An exceptional take up of the example, Jon showed the excellent exhibition space with three ‘straightforward’ solution of a 48- Phil Lightfoot exhibitors taking double stands.

12 Diamond December 2003

Diamond growing report they hope to have a quarterly newsletter. Look at the Construction on the diamond site web site: continues apace helped by the www.diamond.ac.uk/activity/activ weather. The long hot dry ity=newsletter where previous summer in Chilton has allowed issues are stored in PDF format the builders continuous working and may be freely downloaded. with no interruptions for rain. Read all about it in Current information about the 'diamondnews', the latest issue latest status of proposed of which was published in July beamlines can be found on the The floor has to be unusually 2003. If you did not get a paper website too; look at stable. This is achieved by drilling copy you can read it on the www.diamond.ac.uk/activity/activ down to the bedrock using internet; there have been 3 issues ity=beamlines several huge drills like the one in so far, now there is more to Kate Crennell the figure above. The drills have hollow centres, down which concrete is poured.

While the concrete is wet , reinforcing rods are carefully pushed down into the concrete leaving the final hole ready to support the floor.

There are some 1500 of such Aerial view of the construction site showing the floor plan of diamond piles, each of which is capable of emerging on the ground in the centre, new roads have been built to the supporting 80 tonnes. The floors RAL car park, and the new roundabout on the A4185 is just visible at the will need such a lot of concrete top of the photograph. Below the diamond ring, the white line is at the same time that a huge reflection from the construction fence. The circular building is the special concrete mixing machine cafeteria; to its North the old RAL Laboratory creche (Known as ‘The Little has to be built on the site. Stars’) has been demolished to make room for the diamond office Meanwhile utilities are being building, and a new creche building constructed to the Southwest, the connected: water and electricity rectangular white roof on the right. mains are now being installed.

13 Diamond December 2003

Diamond Update: New discussion, and the community explanations for such large Crystallography will be asked for its input at complexes as the Foot and various stages of the process over Mouth Disease virus or the Beamlines the coming months. mitochondrial ATPase (the central enzyme in energy conversion) Readers will be pleased to know The next Diamond Special have had an immense impact. that the two bids for Interest Group Meeting will take Diamond will be a significant crystallography beamlines on place on 6th April at the BCA upgrade on present resources. It Diamond that were put to the Spring Meeting at UMIST, and will provide scientists with state- Open Meeting in May 2003 have speakers will describe of-the-art research facilities that both been approved for developments at Diamond in will allow us to address even development subject to final both the areas of Life and more challenging problems. ratification by the Diamond SAC Physical Sciences. Details of the These will include membrane in November 2003. These bids programme can be found in this proteins, intracellular protein were for a beamline for Small issue of Crystallography News complexes, the design of new Molecule Single Crystal under the arrangements for the therapeutic agents and a host of Diffraction (I19) and the Spring Meeting. We look other biological targets such as Monochromatic Macromolecular forward to seeing you all at the those that have emerged from Crystallography Side Station Diamond SIG. the human genome sequence. (I04A). The current order of Diamond will also benefit a wide construction indicates that the Paul Raithby range of disciplines such as Small Molecule Diffraction Co-ordinator of the Diamond SIG. engineering, earth science, beamline will be developed in chemistry and medical Year 2 of the programme (2008) diagnostics.” and that the side Station will be a Year 3 development (2009). Life Science Director at This is really exciting news for Diamond both the small molecule and protein crystallography communities and will greatly enhance the available facilities Wanted for the next decade. Further details of all the approved Professor Gautam Desiraju is beamlines and the construction looking for a two-circle schedules can be found on the optical goniometer. Anyone Diamond website . who has one of these that is no longer needed could find A related matter that will be of an excellent home for it by keen interest to those within the contacting him: crystallography community that Congratulations to Dame Louise plan to use Diamond is the Johnson (and to Diamond!) on Professor Gautam R. Desiraju discussion that is now taking her appointment as Life Science School of Chemistry place regarding the setting up Director at the Diamond Light University of Hyderabad and the development of a Source. Louise continues to be Hyderabad 500 046, India Research Complex that will Professor of Molecular Biophysics augment the facilities at at Oxford. Of her appointment, Tel Diamond. This Research Complex she said, “I am delighted to be +91 40 23010 510 (extn 4828) will house scientists working on joining such an exciting scientific the beamlines and provide research organisation. Since 1981 Fax supplementary facilities for them. with the commissioning of the +91 40 23010 567 The nature of the scientific UK's first synchrotron facility at E-mail infrastructure, people-centred Daresbury, synchrotron light [email protected] infrastructure and site related sources have revolutionised http://202.41.85.161/~grd/ infrastructure are all under biological research. Structural

14 BCA Spring Meeting 2004 December 2003

British Crystallographic Association REGISTRATION The BCA Council is pleased to announce that One- Day Registrations will be available at the Spring Spring Meeting Meeting in Manchester. 6th-8th April 2004 - UMIST Early Registration Costs (before 5th March 2004) Full Registration Fee: £130.00 The BCA Spring Meeting Student / Unemployed / Retired Registration fee: £65.00 One - day Registration Fee (no concession rate): £65.00 The BCA Spring Non - member surcharge: £25.00 Meeting will take place at UMIST Late Registration Costs (after 5th March 2004) from Tuesday 6th Full Registration Fee (no concession rate): £180.00 April to Thursday One - Day Registration Fee: £90.00 8th April 2004. The Spring Deadline for early registrations is 5th March 2004 Meeting will run for 3 days ACCOMMODATION finishing with tea on Thursday at 3pm. A Young Researchers’ satellite Two types of accommodation are available at UMIST: meeting is also being planned, taking place at the Standard B&B: £25.10 per night Conference Centre on the day leading up to the En-suite B&B: £35.00 per night Spring Meeting, about which full details will be available later. All accommodation is located in the Weston and Chandos buildings, a short walk from the Conference The Spring Meeting will take place in the Renold Centre. Breakfast and dinner will be served in the Building, part of the Manchester Conference Centre nearby Barnes Wallis Restaurant. at UMIST (www.meeting.co.uk); the conference facilities at UMIST are excellent for both delegates Please note that en-suite accommodation is limited and exhibitors. The facilities are centrally located and and will be allocated on a first-come basis, so early are easily accessible by both public transport and by registration is recommended. car. The proximity of Manchester International airport and associated rail links make this venue CATERING particularly attractive for our overseas members. Car Morning coffee, afternoon tea and lunch will be parking (£8 per day) for 700 vehicles is available on- served in the exhibition area, close to all lecture site. High quality accommodation, both en-suite and theatres. standard, is available and is just a short walk from the conference venue. Breakfast and dinner (including the conference dinner) will be served in the Barnes Wallis Restaurant. All scientific sessions, poster sessions and a commercial exhibition will take place in the Renold Lunch and Dinner must be booked in advance and Building within the conference centre. will be ticketed.

The Commercial Exhibition will run from Tuesday 6th Packed lunch served in the exhibition area: £6.50 per day April to Thursday 8th April 2004. For more information on the Exhibition and Sponsorship SOCIAL EVENTS opportunities, please contact Jackie Sayers at the On Tuesday 6th April 2004, the Posters’ / Exhibitors’ BCA Administrative Office at the address below. Reception will be held in the Exhibition Centre from 18.30 hrs, wine and a buffet meal will be served from The BCA Administrative Office will manage all 19.00 hrs. Delegates will have the opportunity to chat administrative issues relating to the Spring Meeting, with exhibitors and poster presenters in a relaxed, if you have any queries please contact Jackie Sayers informal setting. There is no charge for this wine and on 01355 244966 or email [email protected] buffet reception, but sponsorship is welcomed.

15 BCA Spring Meeting 2004 December 2003

Monday 5 April Tuesday 6 April

08.30 hrs

Parallel Session: BCA Council Meeting Young Crystallographers Molecules in Medicine 09.30 hrs - 10.30 hrs Sessions

10.00 hrs Cof 10.30 hrs Coffee/Registration 10.30 hrs - 11.00 hrs

Parallel Session: Paralle 11.00 hrs - 12.30 hrs - Plenary Session : Biomolecules in Molecules Catalysis: from metals to macromolecules Medicine Chemica James Naismith (St Andrews) Guy Orpen (Bristol)

12.00 hrs AGM:C Crystallog 12.00 hrs 12.30 hrs Lunch & Exhibition: Lunch & Ex 12.30 hrs - 13.30 hrs 13.00 hrs 13.30 hrs

Parallel Session: Methods in Macromolecular Plenary Session : Crystallography Parallel Catalysis: from metals to macromolecules Young Crystallographers Sessions Small Ang Jim Kaduk (BP Amoco) Wor Phil Woodruff (Warwick)

14.30 hrs Tea/Exhibition: 14.30 hrs - 15.00 hrs

15.00 hrs Tea 15:00 hrs - 15:30 hrs Tea/Exhibition: 15.00 hrs - 15.30 hrs

15.30 hrs Parallel Session: Methods in Macromolecular Plenary Session : Crystallography Bragg Lecture: Prize L Young Crystallographers Sessions John Finney (UCL) 15.30 hrs - 16.35 hrs PCG

AGM:Biological Structures Group 16.20 hrs - 16.30 hrs 16.30 hrs B Oral Posters 17.00 hrs DIAMOND SIG 16.40 hrs - 18.00 hrs 17.45 hrs Dorothy Ho 18.00 hrs Dinner 18.30 hrs

Kathleen Lonsdale Lecture 18.30 hrs Posters/Exhibitors 18.30-22.00hrs

Buffet and Wine Reception: 19.00 hrs Young Crystallographers Mixer 20.00 20.00 hrs

16 BCA Spring Meeting 2004 December 2003

Wednesday 7 April Thursday 8 April

Parallel Session: Parallel Session: Instrument Plenary Session: Use of Incommensurate Structures Calibration: How to be International Tables a star!

ffee/Exhibion 10.00 hrs - 10.30 hrs Coffee/Exhibition 10.00 hrs - 10.30 hrs

Parallel Session: l Session: Parallel Session: Parallel Session: Instrument Parallel Session: Non- Parallel Session: Small in Medicine : Advanced Aspects of Incommensurate Structures Calibration: How to be bonded Interactions Angle Scattering al Aspects Symmetry a star!

Chemical AGM:Industrial Group raphy Group 12.00 hrs - 12.30 hrs s - 12.30 hrs Lunch & Exhibition: 12.00 hrs - 13.00 hrs xhibition will run from 12.00 hrs - 13.30 hrs

Parallel Session: Parallel Session: Non- Parallel Session: Small Incommensurate Structures bonded Interactions Angle Scattering Workshop Parallel Session: l Session: Parallel Session: CRYSTALS Workshop le Scattering Catalysis in Industry with PCs. rkshop

AGM:Physical Crystalography Tea/Exhibition: 14.30 hrs - 15.30 hrs Group 14.30 hrs - 15.00 hrs

Tea/Exhibition: 15.00 hrs - 15.30 hrs

Lectures: BCA Council Meeting: & CCG 16.00 hrs - 18.00 hrs

BCA AGM: 16.35 hrs - 17.20 hrs

odgkin Prize Lecture: 17.30 hrs - 18.30 hrs

Conference Dinner: 19.30 hrs

17 BCA Spring Meeting 2004 December 2003

The Conference Dinner will be held on Wednesday appreciation and be acknowledged in the annual 7th April at 19:30 hrs in the Barnes Wallis Restaurant bursary report. at a cost of £30.00 per person (£15.00 for students). The closing date for all applications is Friday 20th A fun run around the campus is being planned for February. Only on-line applications from the BCA the BCA Spring Meeting. It will be sponsored by website will be accepted. Rigaku/MSC and will follow the general form of their popular event which has become a regular feature For up to date information on the BCA Spring of ACA Meetings. Meeting, please visit the BCA website:

Further details will be available shortly before the www.crystallography.org.uk meeting, from Harry Powell ([email protected]) Further information can also be obtained from the CAR PARKING BCA Administrative Office: There is ample car parking available at UMIST, Northern Networking charges are £8 per 24 hour period. UMIST is also 1 Tennant Avenue conveniently located adjacent to Manchester College Milton South Piccadilly station and the use of rail travel is East Kilbride, Glasgow recommended. G74 5NA E-MAIL FACILITIES Tel: ++44 (0) 1355 244966 Access to email and Internet facilities will be Fax: ++44 (0) 1355 249959 available throughout the duration of the Spring Meeting in the main conference building. Email: [email protected]

ABSTRACT SUBMISSION CITY OF MANCHESTER Submission of Abstracts will be electronic. For Manchester is a city steeped in history, with a rich instructions, please visit the website: culture and cosmopolitan outlook. Whether you are http//www.isis.rl.ac.uk/BCA2004 interested in art, theatre, opera, pop music or sport, or if you just want to ‘shop ‘til you drop’, Manchester If you have any queries regarding Abstract has it all - and the Manchester Conference Centre is Submission, please email: [email protected] close to all the action! Manchester is a city in motion, a city that blends the cultured with the brash, the Please note that the deadline for receipt of Abstracts cheap with the exotically expensive. The whole place is Friday 20 February 2004. zings with excitement, tensions and contradictions.

BCA BURSARIES FOR BCA SPRING MEETING 2002 was definitely Manchester's year of the century. The Commonwealth Games, which began with a A limited number of bursaries are available from the glorious opening ceremony, developed into one of Arnold Beevers Bursary Fund to cover the cost of two the biggest parties Britain had ever thrown. But 2002 nights accommodation, meals (including the was also about building for the future, with a host of Conference Dinner) and registration. The bursary will exciting and innovative building projects completing not cover travel expenses and recipients will be in a period of just a few months. These included the expected to present a poster. Manchester Art Gallery, Urbis, the Imperial War Museum North, the City of Manchester Stadium, the Council is again seeking commercial sponsors of National Squash Centre, the Indoor Tennis Centre, Spring Meeting Bursaries at £150 per student and it Piccadilly Gardens, Cathedral Gardens, Cathedral is hoped that some Named Bursaries will be awarded Visitors Centre, Selfridges and the huge Piccadilly at this meeting. Station project, just across the road from the Manchester Conference Centre. The speed at which Individual BCA members may also wish to give a they were all delivered is a great demonstration of living legacy by sponsoring their own named student the “Manchester attitude”. bursary. All sponsors will receive a certificate of

18 BCA Spring Meeting 2004 December 2003

SCIENTIFIC SESSIONS Philip Woodruff (Warwick and FHI Berlin) Surface Crystallography and its Relation to Catalysis The scientific sessions for the 2004 BCA Meeting will again concentrate on “hot-topics” in the field of crystallography. The main theme and Plenary Session Plenary Session: “Bragg Lecture” is Catalysis : from Metals to Macromolecules; this will lead into a sub-theme on Molecules in Medicine John Finney (UCL) covering both chemical and biological aspects and Beyond Bragg's Law: crystallography without a lattice Catalysis in Industry. There will be sessions on Small Angle X-ray Scattering, which will be preceded by a workshop on the subject, thus offering a good Plenary Session: “Diamond SIG” introduction to this subject and an indication of the Chair Paul Raithby state-of-the-art. Similarly, Incommensurate John Evans (Southampton/Diamond) Structures will be covered with sessions and a Liz Duke (Daresbury Laboratory) workshop. Another topic of importance to all crystallographers is The Use of International Tables. General Discussion The emphasis will be on symmetry, which will be a plenary session, and for those interested in a deeper insight, this will be followed by a session on Parallel Session: “Incommensurate Structures” Advanced Aspects of Symmetry. There will be other Vaclav Petricek (Czech Republic) more specialized sessions including Non-Bonded Gervais Chapuis (Switzerland) - to be confirmed Interactions and Instrument Calibration as well as a Kenneth Harris (Birmingham / Cardiff) workshop on the CRYSTALS software suites. There Clivia Hejny (Edinburgh) will be a Special Interest Group session on DIAMOND that should be of interest to a large proportion of the crystallographic community. Parallel Session: “Incommensurate Structures Workshop” The Bragg Lecture will be incorporated into the UMIST BCA as will the Dorothy Hodgkin Prize The Jana software package Lecture. The Prize Lectures for the Physical and Chemical Crystallography Groups will take place as usual, as well as the general Poster Sessions. Prior to Plenary Session: “Dorothy Hodgkin Prize Lecture” the main meeting there will be sessions organized by Chair: Chick Wilson (RAL and Glasgow) the Young Crystallographers and these will include the oral poster sessions and the Lonsdale Lecture. Plenary Session: Some additional details of speakers are given below: “Use of International Tables - Symmetry” Session Leader: Bill Clegg (Newcastle) Further, more up to date details are available via the main BCA Webpage or specifically at: http://bca.cryst.bbk.ac.uk/bca/meets/bca04/bca04.htm Parallel Session: “Small Angle Scattering” Mary Vickers (Cambridge) Plenary Session: Member of Peter Laggner Group (Austrian Acad. Sci.) “Catalysis: from metals to macromolecules” Robert Thomas (Oxford) invited – to be confirmed James Naismith (St Andrews) Member of Hecus Braun Company (Hecus Braun-Graz Activation of Inorganic fluoride GmbH) invited - to be confirmed Jim Kaduk (BP Amoco Chemicals, USA) Extraframework Species in Zeolite Y at Non-Ambient conditions. Parallel Session: “CRYSTALS Workshop” Guy Orpen (Bristol) With David Watkin (Oxford) Structural systematics of phosphine ligands for homogeneous catalysis

19 Protein Structure Workshop December 2003

10th Glasgow Protein us to the structure of an innate complex determined from single Structure Workshop, immune system component, particle analysis of cryo-electron surfactant protein D (SP-D), and microscope images. Initial work Heriot Watt University - described her attempts to obtain at 25Å produced a 12-fold Scottish Borders a complex with the high affinity symmetric structure that looked Campus, Galashiels, ligand N-acetylmuramic acid “like a melting ice-cream”. 3rd - 5th September 2003 (NAMA). Gareth Williams from Steve Prince wrapped up the St. Andrews continued the theme UMIST contribution with his Neil Isaacs welcomed participants of innate immune response, and efforts to understand detergent- to the 10th Glasgow Protein concluded the session with the protein interactions in the light Structure Workshop with some “halfway there and a bit” story harvesting complex (LHC2) by surprise at having reached ten of his work to obtain crystals of collecting neutron diffraction meetings! Hazel Leith was the the two-domain ArnA protein, a data. Several months in opening speaker in the first microbial enzyme involved in the Grenoble (foolishly not learning session on Tools and Preliminary resistance pathway of lipid A to ski) later, they had collected a Studies, with an overview of modification by sugar load of data that allowed them Invitrogen’s ligation-free, one- attachment. to confirm the presence of a tube cloning technology “droopy carotenoid”, and to (Gateway) and its application to After a short break for tea, the hypothesize that detergent binds the cloning of light (the Membrane Protein session to the LHC as a preformed luciferase operon). Adrian opened with a talk by Dominic micelle. Neil Isaacs from Glasgow Abbots then showcased the Hunter, Edinburgh, on a novel drew the session to a close with a ÄKTA 3D, Amersham’s solution to cytochrome P450 from heroic 4.5Å structure of the R. the protein purification hurdle at Rhodococcus which, he was quick palustris reaction centre (RC)-LHC which 50% of solubly expressed to point out, “is not a membrane core that goes some way to proteins currently fall. Adrian protein”. The second speaker of solving the enigma of quinone also presented ‘The Balthazar the session, Bob Ford, began a transfer through the LHC ‘wall’ Project’ – a vision of purifying 48 series of contributions from and may shed light on the samples per day in parallel - UMIST by introducing himself as assembly process of this complex allegedly inspired by a mad one of the senior, “or was it of 70 components with no Swedish cartoon scientist and not senile”, people that Lindsay instructions. a large quantity of champagne. Sawyer talked about, before Having purified our favourite going on to describe the After supper, the evening session protein, and set down some structure of a true membrane enticed us away from the bar crystallisation trials, Steve Badger protein – the multi-drug with the promise of Exciting explained how the Oasis1750 resistant, P-glycoprotein from Structures. Konstaninos Beis (St. imaging system from Veeco, CHO cells. Maps derived from Andrews) kicked off with three which exploits a laser autofocus analysis of tilted images of 2-D membrane proteins, Wza, Wzi system and proprietary crystals, to a “good” resolution and Wzc, involved in illumination technology to “get for electron crystallographers transporting the E. coli K30 the image quality right”, could (8Å), show the molecules are antigen across the inner and search our trays for crystals at leaning over to one side at a outer membranes, which he has 8000 wells per hour. Katie Evans “slightly jaunty angle” within the studied by scanning transmission, from Daresbury, having had more crystal lattice. Daniel Wyatt then atomic force and electron success with her work on described his method for microscopies, and X-ray bacterial phytochromes than on purification of microgram crystallography. Richard Norman tuberculosis targets, changed her amounts of L-type calcium (AstraZeneca) then described the talk title and brought us up-to- channels from sarcolemmal structure of human thymidine date with her progress in membranes. We were lucky that phosphorylase, a potential cancer achieving soluble expression of R. Richard Collins remembered his target, in complex with an palustris phytochromes in E. coli. slides for the first time this year angiogenesis inhibitor. Eric Kong Jenny Paterson, probably our (hurrah!), and gave a long- (York) explained how he had most southerly participant, awaited presentation on the used surface plasmon resonance coming from Keele, introduced structure of the megaDalton PilQ and crystallography to

20 Protein Structure Workshop December 2003

understand the binding of a identified in Arabidopsis thaliana Henrick from the EBI who novel synthetic peptide to the (“the 2CV of the plant world”), introduced aspects of the e-MSD ligand-binding domain of an whose structures are currently – a whole new and exciting way isoform of the human oestrogen unknown. Pryank Patel from the of looking at the contents of the receptor. Michaela Smolle from CCP4 at Daresbury demonstrated PDB. Carsten Mang followed on Glasgow ended the session with a number of utilities (some old with Hamilton’s “total solutions” her work towards an and some new to CCP4 v5.0) to automate the crystallisation understanding of the architecture “that probably won’t help solve process from screen setup to of the human pyruvate the structure but will aid your image analysis. Having “reached dehydrogenase complex. progress and fill in the gaps”. Ian the end of the train(?)” with Boucher used the “nice shiny crystals ready for analysis, Anita The second day of the meeting crystallisation robot cunningly Coetzee (Bruker-Nonius) began with a specialist Workshop called Mosquito” at York to reminded us that we should on Structural Genomics, opened obtain crystals and determine the always try to obtain the best with a philosophical view on the structure of a novel iron- quality data, and demonstrated scope of structural genomics from dependent superoxide dismutase how to achieve improved signal- John Moult of the Centre for from the malarial parasite, P. to-noise in-house through Advanced Research in falciparum. Nicholas Evans from increased data redundancy, Biotechnology (CARB) at the UMIST presented the low higher flux, and a sensitive University of Maryland. John resolution structure of the detector. Tracey Gloster, York, expressed a desire to know the haemoglobin receptor, HmbR, an drew the session to a close with structure of everything, but outer membrane protein from an overview of carbohydrates, an conceded that a few thousands Neisseria meningitidis which introduction to isothermal to tens of thousands of structures fortuitously crystallised in 2 titration calorimetry, and the would probably be sufficient to dimensions on an electron mechanistic surprises revealed in give adequate coverage “despite microscope grid. And finally, the atomic resolution structure of the strange behaviour of Karen McClusky from Dundee xylanase. sequence and fold space”, as illustrated the ubiquitous nature estimated using the ‘sock of mobs with reference to this In the final session on Really method’. Osnat Herzberg year’s CCP4 study weekend, Interesting Structures, Rachel brought us back to the realities before focussing on the example McMaster from Sheffield of experimental science with a of MobB, a small molybdoenzyme managed to explain homologous review of the program on the whose structure, along with a recombination to a hungover structural genomics of spot of modelling but “not as audience, and described work hypothetical proteins from the H. most people know it”, gave towards understanding the influenzae genome at CARB. To insight into its function as part of mechanism of the atypical RusA date they have obtained 38 a GTP binding site in the resolvase from E. coli. Nick structures from 308 cloned MobA/MobB complex. Hopcroft (York) took time off proteins. Their experience shows from “desperately” trying to get that typically no more than 200 An afternoon of shinning up the his thesis written up to continue crystallisation experiments are Eildon Hills with Lindsay Sawyer, the theme of nucleic-acid binding needed per protein. In contrast schnoozing by the river Gala, proteins, with a talk on the to John’s wide-ranging interest in shopping in Peebles and structure of the B. subtilis TRAP protein structures, Marjorie sightseeing in Edinburgh led up protein bound with randomness Harding from Edinburgh is only to the conference dinner and yet specificity to GAG and interested “if there’s a metal in followed by entertainment from UAG mRNA repeats. Simon it”. Marjorie has so far collated Chris Pitt and an edifying Bailey (UMIST) outlined his work information on the first crystallographic bar-quiz from the on another interaction involved coordination sphere of zinc and inimitable quiz-master Lindsay …. in the initial infection process of calcium binding sites in the PDB. meningococcal bacteria, that of Tony Fordham-Skelton from The penultimate session of the Neisserial Opacity associated Daresbury described a novel meeting on Databases, proteins with host CEACAM family of protein tyrosine Instrumentation and Transition receptor proteins. Simon phosphatases (PTPs) that he has States was opened by Kim Newstead (St. Andrews) showed

21 Protein Structure Workshop December 2003

how M. viridifaciens sialidase Perovskites Modern and considerable progress in both the appears to have taken domains Ancient group theory underlying, e.g., the from different proteins and potential tilt systems, limiting the Roger H. Mitchell, University slotted them together, tempting number of possible space groups Almaz Press, Thunder Bay ON, 2002 him to try a “mad” experiment to for tilting transitions, as well as Price US$70 from www.almazpress.com swap the carbohydrate binding progress in the crystal chemical ISBN 0-9689411-0-9 (HB); 318 pages. domain. So far, however, he has predictability as to which distortion restricted himself to trapping all This book covers the great will occur, for certain cases. the substrates that Garry Taylor structural variation of the managed in 1995! Stefan perovskites and related phases. It is The quality of production in this Gerhardt (AstraZeneca) asked us set out in ten chapters dealing book is excellent: there are over “why did the stupid German with the different structural types 300 pages of high quality, glossy solve another pentameric of perovskites: "true" perovskites, paper. The book is illustrated with lumazine synthase structure and ordered perovskites, non- over 250 figures, all reproduced in why is it in this session of really stoichiometric perovskites, such as colour, covering representations of interesting structures?” The the bronzes and bronzoids and the structures, cation ordering, answer: S. pombe lumazine hexagonal perovskites. Later diffraction patterns, phase synthase binds riboflavin – chapters cover layered perovskites, diagrams etc, and 36 tables of simple! Paul Blackburn from including Ruddleston-Popper space groups, possible tilt systems Glasgow ended the program with and compositions of natural compounds, high Tc enthusiasm at probably achieving superconducting cuprates, and the perovskites. the highest levels of over- hydrogen-bonded organic- expression of a 7-TM GPCR in inorganic halide structures. The Two things, in my opinion, make mammalian cells, for the atypical great variety is increased as within this book very valuable: the first is chemokine receptor CCR-D6. Paul many of these "structural types" it the very large and highly up-to- successfully convinced us that this is possible to find polar transitions date reference list provided. This project was “heading for glory in which the central ions in makes the book a truly useful not death” with pictures of his octahedral coordination are driven reference and enables the reader best crystal, growing next to fluff off-centre, to pure tilting to rapidly examine the literature in from his jumper, that transitions of the framework of any corner of the perovskite world. disappointingly dissolved in the octahedra. The final chapter of the The second is the context that is European heatwave on the way book betrays the origin of the provided by such a work. In spite to Trieste. author in the earth sciences, and of modern databases and internet covers the variety of natural searches, where one is capable of Neil Isaacs found himself, again perovskites, their compositional finding a great deal of information with some surprise, supplying the ranges, and their importance in the for free, it is only a book such as concluding remarks, and was mantle and in meteorites. this in which one can find a global encouraged to find “structural overview of a topic. There is no biology in Britain in very good Mitchell has deliberately and way one could get such a broad hands given the students coming sensibly avoided covering topics swathe of information in context through”. Next year’s workshop such as superconductivity and anywhere near as rapidly even will again take place at Heriot magnetism associated with the from the most modern databases. Watt University – Scottish Borders phases, which would require Campus, Galashiels from several volumes of their own to The great scope of this book makes September 1st to 3rd, with a new cover in the same detail. What he it a highly valuable reference organising trio of John Rafferty, has produced is an almost resource for people who deal Karen McClusky and Jim encyclopaedic structural work, regularly with, or have an interest Naismith. which should be of great benefit in the perovskites. If you think that to many solid-state chemists and you have even a slight interest in Richard Norman, Ludovic physicists, materials scientists and buying such a book, you probably Otterbein, Siân Rowsell, mineralogists. should purchase a copy of this one. and Julie Tucker The book is timely in that in the Ian Swainson, last several years there has been NRC, Ottawa.

22 Book Reviews December 2003

Fundamentals of Powder Diffraction and Structural Characterization of Materials Vitalij K. Pecharsky and Peter Y. Zavalij, University of Iowa and State University of New York at Binghamton Kluwer Academic Publishers, Boston USA, 2003 Price: US$163.00 (hardback) ISBN 1402073658 xxiii+713 pages and CD.

the text and solutions to the end before the phenomenon of of chapter problems. The cover diffraction has been introduced. deserves special note being The geometry of diffraction is apparently inspired by Dali’s then described (pleasingly to me depiction of Narcissus falling in via use of the Ewald sphere); love with his own reflection and however, there are then some 60 metamorphing via an egg into a pages covering intensity flower – represented here by an corrections and powder peak intermetallic compound seeing a shapes before structure factors In this publication Pecharsky and diffraction pattern, transforming are introduced. Whilst there is Zavalij aim to produce a text that to a reciprocal lattice before nothing inherently wrong with will provide both undergraduate becoming an inorganic mixed the material, I can’t help feeling and graduate students with a metal oxide! that the approach could be thorough grounding in the confusing to beginners. I also practical aspects of powder Chapter 1, as is common with felt that the level at which diffraction, methods for structure many texts, covers elementary diffraction is introduced might solution from powder data, and aspects of symmetry in the solid be slightly daunting to the in the technique of Rietveld state, though also includes a nice stated target audience. refinement. As such the book “taster” of more exotic aspects of aims to cover material that might symmetry such as incommensurate Chapter 3 covers “Experimental traditionally have been found in modulation and quasicrystals to Techniques” starting with a classics such as the texts by Klug whet the reader’s appetite. historical description of powder and Alexander or Cullity, as well diffraction methods and as introducing areas covered in Chapter 2 (160 pages) is an instrumentation before moving more depth by specialist ambitious attempt to cover the on to consider sample mounting publications such as the IUCr “Fundamentals of Diffraction” and how to optimise hardware monographs edited by Young from the production and and data collection parameters. and David/Shankland/McCusker/ monochromatisation of X-rays, There is also a useful section on Baerlocher. The stated entry level their detection, simple the safety aspects of using is that of students with a diffraction theory through to the ionising radiation. Common “general scientific and intensity corrections required for errors such as an inappropriate mathematical background of the analysing powder data. I must choice of slit size for a given order of the first two years of a confess that this was by far my experiment are covered in depth. typical…college”. The book is a least favourite chapter of the I did feel that there was rather well produced and well book as I personally found the too much overlap between some illustrated text and includes a CD arrangement of material of this material and that covered featuring colour figures, the peculiar. For example, in chapter 2, particularly numerous data sets presented in monochromators are described regarding e.g. monochromators

23 Book Reviews December 2003

and the choice of slits/detector technique that permeates much of (perhaps in comparison to the set ups for different the book, and could perhaps have methods already described) the experiments. been dealt with separately use of an alternate programme, elsewhere, particularly as a similar such as the widely used EXPO. Chapter 4 describes the treatment of non-linear least “Preliminary Data Processing and squares pops up in the middle of Overall this is a useful, generally Phase Analysis” of materials and chapter 6. This is perhaps a accurate and relatively essentially deals with the chapter which will date rapidly as comprehensive text that provides “everyday” aspects of routine there has been a significant a good coverage of this area of powder diffraction work including resurgence of interest in the crystallography. It is perhaps peak searching, peak profile science of indexing recently, and slightly long to be suitable as an fitting and phase identification – many new techniques/software introductory text for students and in essence the analysis a packages are appearing to contains some annoying diffractionist might perform “at supplement the classic methods. repetitions when read the instrument”. The material is This is, of course, no fault of the sequentially, but will provide a covered in an exhaustive fashion authors! valuable reference source for any with detailed descriptions of the lab involved in powder work. various stages of the process. The final two chapters concentrate There are areas I feel could have Practical examples of the pros and on methods of solving (chapter 6) been usefully included, though cons of different background and refining (chapter 7) structures. these are clearly my personal bias. fitting, smoothing, α2 - stripping After brief introductory sections They would include non-ambient and peak search algorithms are both chapters present examples diffraction; more on topics such as described which will be of use to from the authors’ own labs. In the problems involved in inexperienced operators. addition to examples solved by combined neutron/x-ray Patterson and direct methods it’s refinements – how, for example, In chapters 5, 6 and 7 this text nice to see cases quoted where were data sets weighted in the perhaps comes into its own in that “crystallographic common sense” combined refinement in chapter it switches to an example-based and a thorough knowledge of the 7?; and more examples based on format to cover the topics of literature have proved as synchrotron/neutron data sets. indexing, structure solution and important as using “black-box” structure refinement. A large software packages. The authors It’s a relatively expensive text (£98 number of real examples, drawn have chosen an approach in which from Amazon though in the US from the authors’ own research, the crystal structure of each Kluwer offer significant discounts and backed up with a CD of data example is solved in chapter 6 and if several copies are purchased as and input files for readers to play then details of its refinement a course book) to expect students with, are provided. The approach given in chapter 7. Whilst this to buy, though this is perhaps adopted falls somewhere between works extremely well from the justified for a 700+ page hard- that of a classical text book and a viewpoint of completeness it does backed book with extensive lab manual/interactive course. lead to a slightly illogical order in additional material on compact Chapter 5 deals with the problems chapter 7 where later examples disk. My only caveat to potential of indexing and refining unit cells. are often less complex then earlier, purchasers is to think before they Although indexing is now largely and introduce no particularly fly - this was the first book ever to automated the authors describe significant new features. My only put my travel plans in jeopardy some traditional methods of criticism of these two chapters is when it tipped my Easy Jet carry- manual indexing to set the scene. that it would have been valuable, on luggage over the weight limit! The use of the “classic” software considering the huge current Rest assured though, that the packages ITO, VISSER and DICVOL interest in the area, to include a simple act of removing the book is then described in depth with worked example in the text of the from the bag in one’s right hand several practical examples. use of real space methods to solve and carrying it through the Methods for refining cells are then an organic structure and illustrate departure lounge in one’s left is described, along with an outline the specific pitfalls that can be sufficient to satisfy check-in of the least squares method. This encountered during refinement of requirements! particular section feels slightly out molecular species. It might also of place in this chapter as it’s a have been nice to illustrate John Evans

24 Obituary - Bill Cochran December 2003

WILLIAM COCHRAN Department, mainly involved in with covalent bonding. July 30, 1922 - teaching electronics. For the In 1949 Bill met David Sayre, an first part of that period, he Oxford-based American August 28, 2003 worked under the direction of postdoctoral worker, and this Professor C G Barkla who had began his interest in direct won the Nobel Prize for Physics methods of solving the phase in 1917 for his work on the problem. As early as 1948 characteristic emissions of X- papers on inequality rays. When Professor Barkla relationships by Harker & died in 1944, Bill moved to the Kasper, Gillis and others had Chemistry Department to do appeared in Acta research in X-ray crystallography Crystallographica but such under the guidance of Arnold relationships were restricted to Beevers. After an exhaustive, very small and simple structures. but unsuccessful attempt to In 1952, in one issue of Acta solve the native sucrose Crystallographica, there structure, Bill succeeded in appeared three papers solving the isomorphous NaCl separately written by Sayre, and NaBr adducts of sucrose, Cochran and Zachariasen that which enabled him to obtain his could be said to be the starting PhD. point of modern direct methods. Bill Cochran was born on a remote sheep farm, some 15 In 1946 Bill moved to Cambridge In 1951, after an extended visit miles south of Glasgow. as Research Assistant to the to the USA, Bill was promoted Forebears of the Cochran family Cavendish Professor, Sir to a full Lecturer in Cambridge had farmed in the area Lawrence Bragg. The research and so obtained the tenure and continuously since the middle of group was under the direction stability he needed to anchor his the seventeenth century, but of W H Taylor and also subsequent research career. Bill’s father took the family to a contained June Broomhead and Travelling home by ship from new farm, some eight miles west C J B Clews. Professor Alexander Stockholm after the second of Edinburgh in 1928. As Bill Todd of the Chemistry International Congress on himself said ‘It is surprising, Department had suggested to Crystallography in 1951, Bill met particularly as I have no Bragg the problems of solving his future wife, Ingegerd Wall, brothers, that I did not become the structures of pyrimidines, and they married in Sweden in a farmer.’ Had he done so, it purines, nucleosides and 1953. Also, at about this time, would have been a sad loss to nucleotides as a way of he collaborated with Henry science. throwing light on the structure Lipson in the production of The of DNA. Cochran and Determination of Crystal Bill was educated at Broomhead found that they Structures, a very influential text Boroughmuir High School where could determine the electronic for many years. his first interest was in structures of pyrimidines and languages, but the fortunate purines sufficiently accurately to In the 1950s Bill acted as a gift of a Mecanno set turned his find the positions of hydrogen consultant to the protein interest first to engineering and atoms, and Bill found that this crystallography group in the later to physics. He entered was greatly improved by the use Cavendish Laboratory, and in Edinburgh University in 1939 to of an (Fo - Fc) Fourier synthesis 1952 he, Francis Crick and read physics, graduating in 1943. that removed the effect of Vladimir Vand published a He made repeated efforts to termination errors. Later he notable paper on the diffraction become involved in the war built a Geiger-counter pattern of atoms on a helix. It effort, but he was always diffractometer with which he was this paper that enabled directed towards academic measured the electron density Crick and Watson to interpret activity and from his graduation in salicylic acid to reveal the Rosalind Franklin's diffraction until 1946 he was an Assistant in presence of hydrogen atoms photographs of the A-form of the Edinburgh Physics and electron density associated DNA.

25 Obituary - Bill Cochran December 2003

Bill saw quite early the potential spotted a theoretical paper by developed a new model for the of computers as a Dick and Overhauser on the structure of amorphous crystallographic tool, and in dielectric constant of alkali materials. 1955, with Sandy Douglas, he halides and he realized that applied EDSAC, a primitive early their shell model was just what In 1975 Cochran succeeded computer, to a direct method was needed to explain the Norman Feather as the Professor for solving centrosymmetric lattice dynamics of sodium of Natural Philosophy and Head structures. This pointed the way iodide. Later he extended the of Department in Edinburgh. to the subsequent development theory to germanium and two Although his research activity of computer applications in this papers he wrote at this time continued for a while, it quickly field, which had an important became classics in the field. tailed off as he bore an impact on structural Later development, while he increasing administrative crystallography. was still in North America, led burden. to the idea of the soft-mode In the mid-1950’s Professor concept for the onset of Cochran’s work was recognised Dingle had created a bit of a stir ferroelectricity. by several awards and by expressing doubts about the appointments to scholarly validity of the ‘twin paradox’ in On returning to Cambridge in bodies. He was a Fellow of the relativity, and for some time 1959 he briefly dallied with the Royal Societies both of Cochran and Dingle carried out phase problem once more but Edinburgh and London and an a lively public debate which then turned his full attention Honorary Fellow of Trinity Hall, ended in Cochran’s favour. to lattice dynamics. He was Cambridge. He was awarded the During this period, Cochran was fortunate in having two gifted Hughes Medal of the Royal becoming somewhat research students, Stuart Society, the Guthrie Medal of disenchanted with direct Pawley and Roger Cowley, later the Institute of Physics and the methods and had concluded, to become colleagues at Potts Medal of the Franklin incorrectly as he later conceded, Edinburgh. In the next few Institute. Amongst his many that they could not solve more years, work was done on the interests were the writing of than very simple structures. lattice dynamics of molecular poetry and tracing the Protein crystallography was crystals, the theory of the genealogy of his family. He clearly the future, but, having lattice dynamics of sodium, and leaves behind his wife, Ingegerd decided early on that it too was the shell model was extended and children Margaret, Robert unlikely to succeed, he was to GaAs. At this stage Bill was and Jennifer, to whom he was a reluctant to ‘climb on the at the forefront of the lattice devoted husband and father. bandwagon’ now that it was dynamics field, and it was rolling successfully. By 1958 almost inevitable that, at the Michael Woolfson Cochran was ready to embark comparatively early age of 40, on a new field. he was elected a Fellow of the Royal Society in 1962. In 1957, at the fourth International Congress on In 1964 he was appointed Crystallography in Brookhaven, Professor of Physics at Bill had attended a lecture by Edinburgh and quickly Bert Brockhouse on neutron established a research group on diffraction applied to lattice Condensed Matter Physics. dynamics. He arranged to Further work was done on spend a year at Chalk River, phase transitions leading to the funded by Atomic Energy of onset of ferroelectricity, mainly Canada, where Brockhouse, using the Chalk River facility for later to win a Nobel Prize, was neutron spectroscopy. For the just using his newly-designed next ten years Bill and his triple-axis spectrometer to group established a leading measure phonon dispersion position in the general field of curves for sodium iodide. Bill lattice dynamics. He also

26 Patenting Software December 2003

Patenting Software someone takes out a patent on factors in x-ray software we can generally ignore crystallography (There has been a lot buzzing it, because the patent holder - High-resolution about the Net on this subject. would have to pursue a lengthy crystallographic modelling of The following has been edited and very expensive legal case a macromolecule from correspondence on bionet, with a strong likelihood of - Fitting of X-ray scattering and may be of wider interest. failure. So, while I too think that data using evolutionary For the purpose of this article, software patents are a bad idea, algorithms. Mike Glazer speaks in roman and I actually think they will in most Lachlan Cranswick in italic – cases turn out to be Another interesting and related Editor) unenforceable. They are typical area is that of “Crystallographic of the muddle and lack of Business Method patents”, where I find it difficult to believe that understanding of the real world you don't patent an invention, anyone would find patenting our that we have come to expect but patent the business method sort of software worth doing, at from the European Union. Of of using an invention, an least as far as small stuff, typical course it could be that many of example of which is: scientific-research oriented the members of the European software is concerned. It would Parliament are also lawyers: if so, “Method for determining be incumbent on anyone holding legislation of this sort is going to parameters of a unit cell of a a patent to show: be of considerable personal crystal structure using profit to them. Or am I just being diffraction”, which includes: a) that there is infringement. too cynical? This would open up the patent “A method for determining the holder’s software for close But it would seem that others do parameters of a unit cell of a examination and without doubt not find it difficult to crystal structure using diffraction various aspects of their software contemplate and actually patent is presented. The method could be shown to exist in other this sort of “small stuff”. There is includes the steps of repeatedly programs written earlier, in a non-exhaustive list of current rotating the crystal at a which case they would be likely Crystallographic “Software predetermined angle, while the to lose. They might even then be Patents” (also called “computer- crystal moves in relation to a judged to be infringing someone implemented business method detection surface and measuring else’s patent! I suspect that patents”) at the CCP14 website: the position of radiation anyone holding a software reflected from the crystal. The patent is going to be loath to They have titles such as: resulting combined open their own software up for - Computer-aided chemical measurements are utilized to inspection in case they lose illustration system accurately determine the unit cell everything. Proving infringement - Apparatus and method for dimension and orientation of the in cases like this is exceedingly monitoring the validity of a crystal” difficult. molecular model - Method and apparatus for Does this mean that some b) that their software is not determining molecular crystal neutron (or X-ray) single crystal obvious, i.e. that someone structures diffractometers might be moving "skilled in the art" at the time of -Process and apparatus for the their motors in an unauthorized writing could not have done this x-ray diffraction way that infringes a current US themselves. It would be characterization of a material patent monopoly? That would extremely difficult for a company with amorphous phase be for the lawyers to decide in a to prove non-obviousness in this - System and method for patent infringement case - if you area, especially since many of us reducing phase ambiguity of had the funding to defend? would say that we could equally crystal structure factors well have come up with the idea - Maximum likelihood density And the US Patent Office even and that therefore it would be modification by pattern contains such things as: US obvious. recognition of structural Patent 6,368,227 titled “Method motifs of swinging on a swing” Filed: The result of this is that even if - Linear prediction of structure November 17, 2000.

27 Patenting Software Young Chemists

It should be noted in the patent company) is hardly going to want The Younger European text that licenses are available to alienate its customer base, i.e. Chemists’ Conference, from the inventor upon request! us! 26th - 29th August 2003, Again, you may own a piece of There is, of course, nothing to Grenoble, France equipment (e.g., in this case a stop someone trying to enforce child’s swing) - but that does not the “swinging” patent, but it At the end of August 2003, I mean you have the right to use would be unenforceable and in attended The Younger it, as someone may have a patent any case up to the commercial European Chemists’ Conference monopoly on part or all of its company to deal with, not us at the ESRF in Grenoble, France. use, in which you or your practising crystallographers. Then This is the third such conference children may be infringing. If you again, the above patents are not in an annual series designed to extrapolate this type of business strictly software patents but bring together young methods patent to patents on methods, so are not researchers, both academic and crystallographic equipment, it really the issue here. The dividing industrial, from throughout seems to be happening already! line between methods and actual Europe working not only in the software is fuzzy. traditional chemistry fields, but Yes of course, you can always also in chemical engineering find someone who will patent The real question it seems to me and technology. A wide range something anytime. There was is this. If I write a piece of of chemical science was until recently, for instance, a UK software, publish it in a journal represented at the conference, patent on the transmutation of and give it to my crystallography from traditional organic elements i.e. by alchemy. But colleagues for free, do I have synthesis, through physical and simply having a patent issued anything to fear? In theory inorganic chemistry, to the use does not necessarily mean that someone holding a relevant of nuclear magnetic resonance you are correct. Remember that patent could sue me for loss of imaging to optimise fluid flow all that a patent does for you is potential earnings. If I had in chemical reactors. to give you the right to sue. In copied my software from a most cases in practice it is too company patent, say that of an The conference consisted of a costly to bother. So X-ray diffraction company, and mixture of keynote lectures, manufacturers usually rely on by distributing it I was then shorter lectures, and poster holding a patent simply to wilfully harming the sales of that sessions, and was attended by frighten off others for fear of company, then I deserve to be over 140 people. All conference being sued. sued and take the consequences. attendees presented a poster, On the other hand, most of the and 35 people were selected Your example of the patent for software we produce as working (from a list of over 70 people cell-dimensions could be crystallographers is not in this who had expressed an interest) challenged by anyone skilled in category, and if it is worthwhile to give a 20 minute lecture on the art (the abstract description software, it is more likely that a their work. With the exception makes it sound like the commercial company would want of the keynote lecturers, Weissenberg technique, and one to pay us for the rights to the everyone involved in either has to read the actual patent to software copyright. presenting a poster or giving a see that it is not, by the way) and short lecture, was under 35 is clearly one in which a So my conclusion is, again, that I years old. The poster manufacturer is trying to protect think software patenting is a silly presentation sessions were itself from its competitors. No idea, and I doubt if it would have simultaneously entries into a doubt a competitor could easily any real effect on non- competition for the most see this off if it wished to spend commercial software writers in original work presented by the money. But for us lesser crystallography. But then I have poster as decided by a panel of mortals, writing software for been proved wrong before! five judges. The prize for the ourselves and our friends, is best poster was the Europa there anything to fear? I doubt Mike Glazer and Lachlan Medal and €1000 in cash. it. After all, the patent holder in Cranswick this case (a well known X-ray The main keynote lectures were

28 Young Chemists EUROMAT 2003

given by Dr Volker Trauz, CEO posters, and attending all the European Congress and of Basell Polyolefins, Professor lectures, that X-ray Exhibition on Advanced Jon McCleverty of Bristol crystallography is heavily relied University, and the recently- upon to provide key Materials and Processes appointed Director of Research information which cannot be - EUROMAT 2003, at the ESRF, Professor Sine obtained by any other method. Lausanne, Switzerland Larsen. Professor Larsen’s In particular, one speaker - an lecture was of particular organic chemist - admitted that Engineering progress essentially interest, in which she discussed he would have been lost depends on the availability and the many and varied uses of without crystallography as the the intelligent use of materials. For third-generation synchrotrons - NMR spectra of his compounds many key industry areas, Europe not just in structural chemistry - were too complicated. constitutes a premier place for the from medical imaging to Unfortunately many of those development of new materials and archaeology. It was followed by who illustrated their talks and their applications. In order to an afternoon touring the posters with pretty ORTEP demonstrate an even more facilities at both ESRF and ILL. drawings had very little idea dynamic European character, how those structures were Euromat 2003 was jointly run by The vast majority of the obtained at all. the French, German and Swiss conference, however, was made materials societies. Euromat 2003 up of short lectures and poster Interspersed amongst the covered fifteen sections in sessions. As with all science were recreational materials domain. conferences, these were an sessions, including a boat trip, In the frame of these 15 congress excellent way not only of conference dinner at a nearby topics that were substructured into hearing about many different chateau, several visits to the 47 symposia, the programme areas of research, but also a bars of Grenoble, and even a included a total of 1283 highly chance simply to talk with other visit from Sir Isaac Newton! innovative, scientific and technical people, not always about These were an ideal way to contributions presented by 1080 chemistry. One particularly nice relax after a very long day of speakers. The international group aspect of the short lectures was science, even if I did once find of chairpersons selected 133 that each lecturer spent the first myself at half past midnight Invited Lectures. Together with the couple of minutes discussing explaining to a natural product 587 Lectures, they were presented their own home town, chemist why anomalous in 179 sessions that were arranged illustrated with pictures, and in dispersion is needed to in 13 parallel groupings. Further, some cases music. With determine an absolute the chairpersons invited 51 speakers coming from such configuration – I think I’d had a reputed experts to present a diverse places as Cyprus, Estonia, bit too much vin blanc at the Keynote Lecture in the frame of Egypt, Canada, Ukraine and conference dinner! their symposium. 508 contributions Singapore this was a very were on display as posters in two interesting way to start a talk. In closing, this conference was poster sessions. The scientific The only exceptions to this were well-attended and well worth programme was particularly the two speakers from attending. I would recommend enriched by four Plenary Lectures Southampton, both of whom to anyone that they consider given by well-known experts from skipped this section, confessing attending future conferences. I both industry and academia, that “there are no nice am grateful to the BCA for among whom was the 1996 Nobel photographs of Southampton”. providing a grant to cover my Prize winner in Chemistry, Harry travel expenses, to EPSRC for Kroto (Royal Society Research My own contribution to the providing a bursary to cover the Professor at the University of conference was my poster, conference fees, and to my Sussex in Brighton). which detailed some recent supervisor Bill Clegg for meeting synthetic and crystallographic miscellaneous expenses. The exhibition organized during results in my work on s-block the congress was the platform for complexes with pyridones and Gary S Nichol the top-development in the field cyanuric acid. It was clear from of materials science and reading many of the other technology, reflecting the topics of

29 EUROMAT 2003 CCG

the congress. It was good to see Bernardo do Campo, Brazil and Spring 2004 Meeting. The award representation of the famous Prof. Igor M. Rasumovskii from is sponsored by the Cambridge manufacturers, such as Bruker Institute of Metals, “Kompozit”, Crystallographic Data Centre. AXS, Wiley VCH, NETZSCH, HWL Korolev, Russia gave presentations The award is for: Scientific Instruments, which are I have been able to identify essentially from the top 100 blue opportunities for future `Original research in the field of chip companies. collaborative work. chemical crystallography or the application of crystallographic The congress was huge and it was There are few occasions as information to structural not possible to attend all parallel beneficial as this for any materials chemistry. This definition shall sessions. The most interesting and scientist in the European materials include advances in instrumental, useful for my research I found arena to present and to discuss experimental, theoretical or Symposia on “Advances in Light his/her work, and it was a most computational techniques that Alloy Technologies”, “Defects in constructive, rewarding and contribute to this field.' Materials studied by Advanced interesting experience for my Analytical Techniques”, “Modelling future career. The CCG Committee will select Microstructure Mechanics Across the award winner on the basis of the Length Scales” and “Solid Tatiana Novoselova the published research papers of State Transformation, Heat nominated candidates. Candidates treatment”. The poster session was should not have reached their organized over 2 days, so there Chemical 35th birthday by 1st January 2004, was plenty of time to attend. Crystallography but candidates up to five years older may be considered under My contribution to the congress Group exceptional circumstances. The took the form of a poster http://crystallography.org.uk/ award winner will receive a presentation, the subject being bca/ccg/ccg.html commemorative item and a “Experimental Study of the Phase monetary prize, and will give a Transformation and the Evolution Call for Nominations lecture on his/her research at the of Microstructure with Elections will be held at the CCG BCA Spring Meeting which will be Temperature in Gamma TiAl AGM in Manchester for the posts held at UMIST in Manchester in Alloy”. Taking into account that of Secretary/Treasurer and one April 2004. the congress hosted more than ordinary member of the 150 sessions, the poster Committee. The present Previous winners of the award presentation was of real benefit to incumbents (Secretary/Treasurer: are Dr Jacqueline M. Cole me, as it provided a high density Harry Powell, Member of (Cambridge, 2000), Dr Claire interested audience during the 2 Committee: Simon Coles) will Wilson (Nottingham, 2001), Dr days. My poster presentation was have each served a full term and David R. Allan (Edinburgh, 2002) well attended, and generated will not be eligible for re- and Dr Ivana Radosavljevic Evans many questions. It was extremely election to the same posts (see (Durham, 2003). fruitful and motivating to hear the rules 12 and 15 of the comments of the top experts in my Constitution). Further details and a nomination field. I would like to mention first form may be obtained from me of all the discussion with Prof. The deadline for nominations is (Dr H.R. Powell, MRC Laboratory David G. Morris, Centro National seven days before the CCG AGM of Molecular Biology, MRC de Investigaciones Metalurgicas in Manchester. Names of the Centre, Hills Road, Cambridge, (CENIM), Madrid, Spain, who current members and the CB2 2QH, e-mail: chaired the “Nanostructured Constitution of the Group can be [email protected] fax 01223 Materials” Symposium. His positive seen on the CCG website. 213556), or on the CCG website. assessment of the results I presented at the congress was a CCDC Chemical Nominations must be received by great endorsement for me. As a Crystallography Prize for Friday January 9th, 2004. result of attending poster session, Younger Scientists 2004 where Dr. Peterson Ferrandini Nominations are invited for this Harry Powell, Secretary from University Centre FEI, Sao award, to be made at the BCA

30 Meetings of Interest December 2003

Further information may be 10-12 December 2003 23-25 February 2004 obtained from the website The First International Workshop on PPXRD-3, The 3rd Pharmaceutical given. If you have news of any Advanced Superhard Materials Powder X-ray Diffraction Symposium, meetings to add to list please University Paris Nord, Sponsored by the International send them to the BCA Web Villetaneuse, France Centre for Diffraction Data Master - [http://www-lpmtm.univ- Hilton Head Island, SC, USA [email protected] or paris13.fr/Workshop/Workshop.htm] [http://www.icdd.com/ppxrd] to the Editor. The help of Dr Simon Parsons and the IUCr 19 December 2003 listing is gratefully 15 March 2004 BSG Winter meeting and 21st AGM, acknowledged. 2nd Annual Biomaterials Workshop, London Cranfield University, Shrivenham [http://bca.cryst.bbk.ac.uk/bca/bsg/we [http://www.cranfield- lcome.htm] biomaterials.com] 1-2 December 2003 8-10 January 2004 Validation of Macromolecular 30 March-1 April 2004. XXXIII National Seminar on Structures and Structure Neutron Scattering in Materials, at Crystallography, India Determination Steps., Trieste, Italy the IOM3 Congress in Carlton House [http://www.ncl- [http://www.elettra.trieste.it/um11/sa Terrace, London india.org/events/main.html] [http://www.iom3.org/congress2004] t1.html] 9-16 January 2004 6-8 April 2004 3-4 December 2003 LANSCE Neutron Scattering Winter BCA Annual Meeting, UMIST, The Molecular Basis of Life: is Life School on Magnetism, Manchester Possible without Water?', Los Alamos NM, USA [http//www.isis.rl.ac.uk/BCA2004] The Royal Society, London [http://lansce.lanl.gov/neutronschool/i ndex.html] [http://www.royalsoc.ac.uk/events/discuss 10-14 May 2004 ion_meetings/level_2/dec_water03.htm] The Second Moroccan School of 13-16 January 2004 Crystallography, EMC2, Joint Meeting on Neutron Optics and 4-7 December 2003 El Jadida, Morocco Detectors, Tokyo, Japan High Pressure Structure and [http://www.nop2004.jp] [www.ucd.ac.ma/fs/emc2] Reactivity: The Science of Change. Lawrence Berkeley National 27-28 January 2004 2-4 June 2004 Laboratory, Berkeley, California. Workshop on Polarisation Analysis 13th Annual CCP13/Fibre Diffraction [http://www-esg.lbl.gov/esg/ and Inelastic Cold-Neutron Scattering & Non Crystalline Diffraction meetings/IUCrCHP0903/index.html] at Australia's Replacement Research Workshop, Reactor, Lucas Heights, Australia ILL/ESRF, Grenoble, France 8-9 December 2003 [http://www.ansto.gov.au/ansto/brag [http://www.ccp13.ac.uk] PCG Autumn Meeting: Probing g/workshops/workshop10.html] 6-10 June 2004 Structure at the Nanoscale - American Conference on Neutron Fact, Fiction or Hype? 14-18 February 2004 Biophysical Society 48th Annual Scattering, College Park MD, USA Abingdon, Oxon Meeting, Baltimore, MD, USA [http://www.ncnr.nist.gov/acns] [http://bca.cryst.bbk.ac.uk/bca/pcg/me [http://www.biophysics.org] etings.htm] 9-20 June 2004 23-27 February 2004 Electron Crystallography: Novel 9-13 December 2003 International Conference on Approaches to Structure International School on Crystal Dynamics of disordered materials on Determination of Nanosized Growth and Characterisation, the nanometer scale, Materials, Erice, Italy. La Pedrera, Rocha, URUGUAY Daewoo Hotel, Hanoi, Vietnam [http://www.crystalerice.org/2004/ElCr [http://www.iscgcha2003.fq.edu.uy/] [http://www.engconfintl.org/4ah.html] yst2004.htm]

31 Meetings of Interest December 2003

9-20 June 2004 26-31 August 2004. 23-31 August 2005 Polymorphism : Solvates and Phase 22nd European Crystallographic XX Congress of the International Relationships. Erice, Italy, Meeting, Budapest, Hungary Union of Crystallography, [http://www.geomin.unibo.it/orgv/eri [http://www.ecm22.mtesz.hu/] Florence, Italy ce/bernstei.html] [http://www.iucr2005.it] 31 August - 10th September 28 November-2 December 1-10 July 2004 2004 2005 XVI International School on the Synchrotron Radiation Summer 2005 International Conference on School Daresbury, UK Physics and Chemistry of Condensed Neutron Scattering (ICNS 2005), [website not yet ready] Matter: Structural Aspects of Solids, Sydney, Australia Bialowieza, Poland [http://www.sct.gu.edu.au/icns2005/a 2-5 September 2004 [http://alpha.uwb.edu.pl/schoolXVI/] nnounce.html)] EPDIC-IX, European Powder 17-22 July 2004 Diffraction Conference, 9-18 June 2006 Prague, Czech Republic Americal Crystallographic Association The Structure Biology of Large [http://www.xray.cz/epdic] Meeting, Chicago, IL, USA Molecular Assemblies, [http://www.hwi.buffalo.edu/ACA/ind Ettore Majorana Centre, Erice, Italy 5-10 September 2004 [http://www.crystalerice.org/futureme ex.html] 3rd International and 28th European et.htm] Peptides Symposium - 19-23 July 2004 Prague, Czech Republic 7-17 June 2007 20th General Conference of the [www.kenes.com/28eps] Engineering of Crystalline Materials Condensed Matter Division , Properties: State-of-the-Art in European Physical Society, 7-10 September 2004 Modeling, Design, and Applications, Prague, Czech Republic Ettore Majorana Centre, Erice, Italy, X-TOP 2004 - 7th Biennial [http://cmd.karlov.mff.cuni.cz/CMD/] [http://www.crystalerice.org/futureme Conference on High Resolution X-Ray et.htm] Diffraction and Imaging, 21-23 July 2004 Pruhonice (near Prague), 4th European Workshop on Czech Republic Piezoelectric Materials (4th EWPM), [http://www.xray.cz/xtop] Montpellier, France [http://www.lpmc.univ- 4-7 October, 2004 montp2.fr/~4ewpm] Analysis of Functionally Graded Materials (1st SOTAMA-FGM) 2-6 August 2004 Krakow, Poland 53rd Annual Denver X-ray [http://www.imim-pan.krakow.pl] Conference Steamboat Springs, CO, USA 17-21 November 2004 [http://www.dxcicdd.com/] SGO International Conference on Structural Genomics 2004 (ICSG 20-28 August 2004 2004), 32nd International Geological Washington Hilton & Towers Hotel, Congress, Florence, Italy Washington, DC, USA [http://www.32igc.org/] [no website yet given]

22-24 August 2004 19-29 May 2005 Satellite meeting on "Mathematical Evolving Methods in Macromolecular and Symmetry Aspects" (ECM-22) Crystallography, Ettore Majorana Budapest, Hungary, Centre, Erice, Italy [http://www.lcm3b.u- [http://www.crystalerice.org/futureme nancy.fr/mathcryst/satellite.htm] et.htm]

32 And finally... December 2003

Kate Crennell writes: Five decades when we have also seen The sequencing of every human gene. In response to my request for further news of events associated with the 50th anniversary of the discovery But these advances raise ethical issues of the structure of DNA I have received a letter full of In bioengineering cells and tissues. news of events from Professor Herbert Wilson who worked with Maurice Wilkins at Kings' College, In the era of GM crops and Dolly, London and helped to demonstrate that the Some see great hopes but others folly. phosphate groups were on the outside of the DNA helix. He later became Professor of Physics at the Let's hope that in all the applications University of Stirling. He wrote this poem for the Wisdom prevails when making decisions. special occasion. But these are topics for future debate, On the 50th anniversary of the double helix For today is a day to celebrate!

Let's wish many happy returns of the day Herbert Wilson To the double helix of DNA.

Five decades have passed since Watson and Crick Unveiled their model - like a conjuring trick! And in honour of the year Five decades since Wilkins and Franklin days that came and went, Gave support for the model using X-rays. Here’s the offering from the Royal Mint! Five decades in which The Code was broken, And dogma was an information token!

Olga Kennard Research Fellowship 2004

Applications are invited for the Olga Kennard Research Fellowship for research in crystallography or structural molecular biology. Eligibility: Applicants must have a PhD or equivalent research experience and have at least three years’ postdoctoral experience by 1 October 2004. Career breaks such as maternity leave, EU national service and voluntary service overseas can be discounted, but teaching experience and/or time spent in industry since the award of a PhD should be included in the total amount of postdoctoral experience. Part-time work will be counted pro rata. Applicants must be citizens of the EU, Norway, Israel or Switzerland but there are no residency requirements for this fellowship. Persons holding a permanent post in a European Union university will not be considered. Length of tenure: This appointment is tenable for five years only from 1 October 2004 and there is no possibility of renewal. Place of tenure: The fellowship must be held in a UK university or recognized research institute. Value: The Olga Kennard Research Fellowship is designed to be particularly beneficial for women as it includes additional funds for family support, conversion for a period to part-time working and maternity leave if required. The fellow will be paid on the non-clinical academic and academic-related staff (Lecturer A and B) salary scale which currently runs from £22,191 to £33,679. Starting salaries will be set at a point on this scale, with London Allowance where appropriate, and will rise incrementally each year. A limited number of merit increments will be awarded each year to reward outstanding performance. Annual research expenses (up to a maximum of £13,000 for the first year and £11,000 thereafter) will be available together with relocation expenses and a contribution to baggage costs for successful applicants from overseas and their families. Number offered: 1 only. Closing date: 9 January 2004. Past experience suggests that the results of the competition will be available about five months after the closing date. Please note that interviews are not held for these fellowships Applications can only be submitted online on the Royal Society’s new electronic Grant Application and Processing (e-GAP) system (https://e-gap.royalsoc.ac.uk, or via the e-GAP logo on the front page of the Society’s web site). Applications can no longer be submitted on paper. If you would like any further information on these schemes, about the e-GAP process, or the submission of your application, please contact the Research Appointments Department, The Royal Society, 6-9 Carlton House Terrace, London, SW1Y 5AG (Tel: 020 7451 2545 or email:
    ).

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