BCA SPRING MEETING 1998

UNIVERSITY OF ST ANDREWS

Sunday 5 April - Wednesday 8 April 1998

• General information
• Why you should come
• Timetable
• Accommodation and meals
• Lecture and Poster Abstract Instructions
• Electronic Abstract Submission
• Bursaries
• BCA Group sessions BSG, CCG, Workshop on twinning IG, PCG

General Information

The 1998 Spring Meeting will commence after lunch on Sunday 5th April and end before lunch on Wednesday 8th April. Moving the meeting forward by one full day will allow ease of travel both to and from St Andrews, given the comparatively long distances involved for many participants. Those who wish to fly up are encouraged to do so on the Saturday and accommodation will be available on the Saturday night. Good Friday is on the 10th April, so the earlier finish will allow for easier return travel before the Easter rush - or you may like to spend Easter in Scotland!

All scientific sessions, including lectures, workshops, poster sessions and the commercial exhibition, will be held in the Physics Building. Accommodation will be provided at the nearby John Burnett and McIntosh Halls. St Andrews is a delightfully picturesque small town with everything within easy walking distance of the conference site.

Contributions of posters are invited on any subject within the wide interests of the BCA. Prizes will be awarded for the best posters in the various categories. A limited number of BCA Bursaries are available to assist students to attend the meeting. Information on the submission of poster abstracts (deadline 16th February) and applications for Bursaries (deadline 15th January) are given on a later page. Please note that electronic submission of Abstracts is a requirement this year.

Early registration is encouraged, and an additional fee will be charged for late registrations (those received after 6th March).

The format for the scientific programme (next page) will differ slightly from recent years in having a BCA Plenary Session (on Disorder) which will draw speakers from each of the BCA's constituent groups. Each Group will then have one main session [denoted (1) in the programme] and one subsidiary session [denoted as (2)], with some of these running in parallel. Session titles are:

BSG(1) Hot Structures

BSG(2) Exploiting Protein Crystal Structures for Structure-Based Drug Design

CCG(1) Supramolecular Structure

CCG(2) Workshop on Twinning

IG(1) Workshop on 'Data Quality, Fit for the Purpose'

IG(2) The Alun Bowen Industrial Lecture plus

Session on Hardware and Software Developments

PCG(1) Synchrotron Radiation

PCG(2) Open Session - Oral presentations from selected Abstracts

Outline Programme

        Sunday          Monday          Tuesday         Wednesday  

Time    5 April         6 April         7 April         8 April

                    _______________________________________________________

09.00 [BCA Council]  Plenary Session      IG(2)         CCG (1)

                        Disorder      

10.30 [BCA Council]  Coffee:Exhibits   Coffee:Exhibits  Coffee:Exhibits

                                

11.00 [BCA Council]  Plenary Session      IG(2)         CCG(1)

      ______________     Disorder       

12.30 Lunch:Exhibits  Lunch:Exhibits  Lunch:Exhibits   Lunch:Depart

                                                       _____________

                      --------------                   [BCA Council]

13.30                 Oral   IG(1)*           

     --------------   Posters        ---------------- 

14.00   BSG(1)        CCG/PCG        IG(2)     CCG(2)     [Travel] 

                                                 and

14.30                 --------------           PCG(2)    

                      PCG(1) : BSG(2)                                  

                                      ---------------

15.30  Tea:Exhibits   Tea:Exhibits     Tea:Exhibits     

                                      ---------------

16.00   BSG(1)        PCG(1) : BSG(2) Philips Lecture

                                      Poster Prizes

                                      BCA AGM 

                                      ---------------  

17.30  End of Session                  Question Time     

18.00                  End of Sessions                                         

18.30   Dinner         Dinner          End of Session                           19.30  Ceilidh         Posters        Conference Dinner 

                     Exhibits and Wine 

Accommodation and Meals

Bed and breakfast accommodation, mostly in single rooms, is provided in the John Burnett and McIntosh Halls, both within a few minutes walk of the conference site. Lunches are served in Hall on Sunday and Wednesday; on Monday and Tuesday they are boxed lunches available in the Physics Building. Tea and coffee will be available in the Physics Building, close to the Exhibition, Posters and Lecture Theatres. Dinner will be provided in the Halls.

Participants are welcome to arrive on Saturday 4th April, and accommodation will be available in the Halls.

Social Programme

Sunday Morning

An optional tour of St Andrews or a round of golf will be arranged if there is sufficient demand

Sunday Evening

Ceilidh and Bar

Monday Evening

A Drinks Reception will accompany the Poster and Exhibition Session

Tuesday Evening

Conference Dinner and Drinks

St Andrews is an historic town with an eclectic selection of bars and restaurants within easy walking of the University for those who wish to enliven their stay further.

Further Information

Full travel and local information will be provided for registered delegates.

BCA SPRING MEETING 1998

Why you should attend the St Andrews Meeting

1. A full, varied and exciting scientific programme has been arranged incorporating a BCA Plenary Session for the first time, together with constituent Group sessions, Workshops, Posters and a Commercial Exhibition.

2. Poster contributions will feature prominently, giving maximum opportunity for all participants to display their work. Prizes will be awarded for the best poster presentations, with the CCG and PCG having an oral session to encourage participants to visit the posters.

3. The Commercial Exhibition will be centrally positioned in the large foyer area of the Physics Building. A wide range of companies will display their latest products, including crystallographic hardware, software, teaching and research aids and more.

4. Take a break! - Why not arrive early? or stay on for Easter in Scotland? St Andrews is a beautiful and historic town, with a proud academic tradition and famed for being the "Home of Golf". As well as providing the opportunity to play the world's leading courses, there is ready access to the spectacular Scottish Highlands, with some of Britain's finest scenery and walking, all within a 2 hour drive.

5. St Andrews will provide a real "Taste of Scotland" for those wishing to get in the mood for IUCr-XVIII in Glasgow 1999, including the traditional Scottish Ceilidh on the opening evening.

6. Costs have been kept to a minimum: Full BCA members arriving Saturday and leaving after lunch on Wednesday will pay £255 including all lunches, the conference dinner and the Ceilidh. Students and retired BCA Members can deduct £20 from this total.

BCA SPRING MEETING 1998

Lecture and Poster Abstract Instructions (deadline 16th February)

Lecturers are reminded that they should submit an abstract of their lecture following the guidelines and instructions given here.

Poster contributions are invited on any aspect of crystallography: they are an essential part of a successful meeting. A good poster has both high scientific content and clear presentation. Points to remember: What are the main points you wish to convey? Is the poster eye-catching? Is there too much text and can it be read from a few feet away? Poster boards 1.2m high by 1m wide. Velcro fixings will be provided for each accepted poster. There are prizes for the best poster in each subject grouping.

Abstracts may only be submitted electronically unless there are serious extenuating circumstances. Full submission details are at http://www.isis.rl.ac.uk/bca98 Remember that the UK is hosting IUCr-XVIII in Glasgow in 1999 and we need to get as much experience as possible with electronic abstracts. Camera-ready copy may be used by agreement with the Abstracts Organisers [black print on a single A4 sheet, side margins at least 3cm, top and bottom margins at least 4cm, minimum type size 12pt].

Abstracts should have the title in CAPITALS, followed by the author(s) name(s) and affiliation(s). Indicate those author(s) who will attend the Meeting by underlining, or with an asterisk (*), e.g.:

KOSSEL PATTERNS OBTAINED FROM QUASICRYSTALS

Ch. Schetelich¹(*), S. Brenner² and V. Geist²

¹_{Physics Department, University of Warwick} ²_{Institute of Mineralogy, Crystallography and Materials Science, University of Leipzig.}

Please indicate the Group session for which the Abstract is intended (Biological, Chemical, Industrial or Physical), and provide the following contact information for the author responsible for the submission: Name, address, phone, FAX, and e-mail.

BCA Abstracts Organisers 1998 Dr Chick Wilson and Dr Kenneth Shankland, ISIS Facility, CLRC Rutherford Appleton Laboratory, Chilton, Didcot,Oxon OX11 0QX, UK
e-mail: [email protected]

Electronic Abstract Submission (deadline 16th February 1998)

Electronic abstracts may be submitted in three ways:

• E-mail an attached word processor document, including graphics, to:
  [email protected]
  Layout details can be obtained from: http://www.isis.rl.ac.uk/bca98 [note 'isis' not 'isise' here]. All popular word processor formats can be handled, but please specify which format you have used and which version. Microsoft Word documents are preferred and a Word template may be downloaded from the above web site.
• E-mail ASCII text abstracts to [email protected]. In this case, no graphics can be accepted. ASCII text abstracts will be formatted at ISIS.
• Upload a word processor document directly to the web site. Details of the upload procedure are available from the web address above.

Please include the Session and Contact Details requested on the previous page. You will be assigned an Abstract Number by e-mail prior to the meeting

Correspondence concerning abstracts must only be sent to [email protected]. Authors are encouraged to visit the web site above for latest submission information.

Bursaries (deadline 15th January 1998)

Bursaries are available from the BCA and from each of its Groups. They are intended for young scientists who have been members of the BCA for at least 6 months, who are without a permanent position, and who are presenting a lecture or poster. They will be expected to attend the relevant sessions and submit a report. Applicants should proceed as follows:

• Follow the instructions above for abstract submission, but make an extra paper copy of your abstract to accompany your Bursary application.
• Ask your Supervisor/Head of Department for a signed letter of support
• Post the Abstract copy, letter of support and your completed Registration Form by normal mail to: Dr S.J.Maginn, BCA Bursaries Committee, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, to arrive by 15th January 1998.

Biological Structures Group Sessions

BSG Session on Hot Structures (Sunday 5 April, 14.00 - 17.30)

BCA Plenary Session on Disorder (Monday 6 April, 09.00 - 12.30)

Speaker to be announced

BSG Session on

Exploiting Protein Crystal Structures for Structure-Based Drug Design

(Monday 6 April, 14.30 - 18.00)

BSG Speakers will include:

David Barfoot (Oxford) Mark Banfield (Bristol)

Bill Hunter (Dundee) Steve Sprang (Dallas)

Malcolm Walkinshaw (Edinburgh)

Chemical Crystallography Group Sessions

BCA Plenary Session on Disorder (Monday 6 April, 09.00 - 12.30)

Professor Keith Prout (Oxford) Slow Motions and Disorder in Molecular Crystals

CCG Oral Poster Presentations(Monday 6 April, 13.30 -14.30)
Poster Session (Monday 6 April, 19.30)

CCG AGM (Tuesday 7 April, 9.30)

CCG Workshop on Twinning (Tuesday 7 April, 14.00 - 15.30)

Dr Regine Herbst-Irmer (Göttingen) Workshop Leader

CCG Session on Supramolecular Structure (Wednesday 8 April, 09.00 - 12.30)

Professor Jeremy Sanders (Cambridge) Lead Lecture (title to be announced)

Other contributions are being arranged

With the increasing use of area detectors and more powerful radiation sources in small-molecule crystallography it is becoming possible to obtain data on samples which would have been discarded a few years ago. However, many of these samples are not simply weakly-diffracting but exhibit other problems, including twinning. The CCG has organised a Workshop on Twinning which will be led by Dr Regine Herbst-Irmer of the University of Göttingen and will begin at 1400h on Tuesday 7th April.

Nowadays most crystal structures of small molecules are solved and refined by powerful programs with little human intervention. However, there are still some problems that need the knowledge of the crystallographer and one of these is twinned crystals. In the Workshop it will be explained what a twin is and how one can detect that a crystal is twinned. For the description of a twin two things are necessary: a description of the orientation of the different components relative to each other (the twin law) and the fractional contribution of each component. The derivation of the twin law will be explained with the help of several examples. It is possible to distinguish two kinds of twins, one where there is an exact overlap of the reciprocal lattices of the components and the other where they have different reciprocal lattices. Examples of both kinds will be presented. It will also be shown how it is possible to obtain data from a non-merohedral twin, where the reflections do not overlap exactly, using a CCD area detector. Refinement of twinned structures will be illustrated by reference to examples using SHELXL, although the principles will be relevant to other program packages. There will also be a consideration of special factors that need to be taken into account.

There is no formal registration procedure for the Workshop at which attendance is free. However, a charge of not more than £1 will be levied to cover the cost of producing handouts (purchase optional but recommended).

Industrial Group Sessions

BCA Plenary Session on Disorder (Monday 6 April, 09.00 - 12.30)

IG Workshop: 'Data Quality - Fit for the Purpose' (Monday 6 April, 14.00 - 17.30)

Alun Bowen Industrial Lecture (Tuesday 7 April, 09.00 - 10.00)

IG Session on Hardware and Software Developments (Tuesday 7 April, 10.00 - 12.00 and 14.00 - 15.30)

BCA Industrial Group Workshop
Data Quality - Fit for Purpose

2.00 - 2.45 'Phase Identification and Quantitative Phase analysis' (Inorganics) Ron Jenkins(ICDD)

2.45 - 3.30 'Pattern Fitting and Morphology' (Organics - particularly pharmaceuticals) Jamshed Anwar (Kings College, London)

3.30 - 4.00 Tea

4.00 - 4.45 'Profile Analysis' (Composites) Richard Todd (University of Manchester)

4.45 - 5.30 'Lattice Parameters and Structure Determination' (Oxides) Kevin Knight (RAL)

Organiser Mary Vickers
01223 3343569
email ([email protected])
University of Cambridge
Department of Materials Science
Pembroke St
Cambridge CB2 3QZ

Physical Crystallography Group Sessions

2.00 - 5.30pm Monday 6 April

BCA Plenary Session on Disorder (Monday 6 April, 09.00 - 12.30)

Richard Welberry (Australian National University)

Computer simulation as a tool for the interpretation and analysis of diffuse scattering

PCG Oral Poster Presentations (Monday 6 April, 13.30 - 14.30)

PCG Session on Synchrotron Radiation (Monday 6 April, 14.30 - 18.00)

14:30 - 15:30 Christian Vettier (ESRF) Magnetic materials and Synchrotron X-Rays

15:30 - 16:00 Tea

16:00 - 16:40 Michael Estermann(ETH Zurich) 'Quasicrystals

16:40 - 17:20 Robert Pettifer(Warwick) 'Some developments in the measurement and processing of X-ray absorption spectra'

17:20 - 18:00 Colin Norris(Leicester) 'X-ray Scattering from Surfaces'

14:00 - 14:45 Malcolm McMahon(Liverpool) 'Crystallography under Pressure'

14:45 - 15:30 Bill Stirling(Liverpool) 'Magnetic phase transitions studied by x-ray magnetic scattering'

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