The monthly newsletter from the National e-Science Centre NeSC News Issue 73 September 2009 www.nesc.ac.uk When Microbes Meet Molecules By Iain Coleman Physics generally starts with very simple models – point masses moving on frictionless surfaces and so forth – then builds up into more complex and realistic descriptions of the world. Biology does the opposite, starting from big, complex systems like trees, tigers or physics professors, and teasing out the laws and common structures that underlie this complexity. The two disciplines meet in the middle with the study of bacteria. To a physicist, mathematician or computational scientist, a bacterium is a complex dynamic system, processing information about its surroundings through a network of chemical signals. To a biologist, a bacterium is an incredibly simple living system, displaying fundamental processes in an uncluttered and tractable form. The research network StoMP (stochastic dynamical modelling for prokaryotes) combines these two perspectives. At the 2009 StoMP workshop, held at eSI on 13-16 July, microbiologists and physical and computational scientists joined forces to expose the inner workings of bacteria. Much of the workshop centred around E. coli. This bacterium is a notorious cause of nasty – and sometimes fatal – illness, but it is of interest to modellers because even among bacteria it is a very simple organism. It has a single signalling pathway that conveys information about the outside world to the motor system, so that the bacterium will move towards or away from attractive or repellent chemicals. models can capture the details of this organism’s behaviour. Judy Armitage (Oxford) contrasted this with the more complex Rhodobacter Sphaeroides bacterium, which possesses two physicallyseparate signalling pathways. One pathway carries information about the external world, much like E. coli, while the other transmits information about the internal state of the bacterium. So the motor system can know not just “where is food?” but also “am I hungry?”, enabling more sophisticated behaviour. Steven Porter (Exeter) showed how modelling the response time of Rhodobacter led to the prediction that a novel posphatase must form part of the cell’s signalling system: a prediction that was later borne out by experiment. These investigations were complemented by the more abstract modelling of stochastic networks. Intrinsic variability, environmental changes and random fluctuations can all affect the dynamics of a cell. Guido Sanguinetti (Sheffield) showed how these concepts can shed light on the transition between aerobic and anaerobic states, while Peter Swain (Edinburgh) discussed how cells can both exploit and regulate stochasticity. Simple as E. coli might be, it can do a neat trick that you or I can’t. It is able to switch its metabolism in response to the environment: if there’s plenty of oxygen, it will use that, if not it will switch to anaerobic respiration, and if it can do neither it will settle for fermentation. Alison Graham (Sheffield) presented experiments aimed at finding out how the components involved in these processes are regulated, exposing an E. coli culture to controlled levels of oxygen in order to study the transition between respiratory states. James Moir (York) discussed similar issues of respiratory pathway choice in Neisseria meningitidis, an organism responsible for both septicaemia and meningitis, showing how sophisticated mathematical While modelling is helping to understand the inner workings of bacteria, the most striking impact of physics on E. coli is also the most literal. Microscopic objects, such as dust particles, are subject to Brownian motion, caused by random buffeting by the molecules around them. We don’t notice this in our daily lives, being much too large to notice these microscopic impacts, but E. coli is small enough to be tossed around by Brownian motion like a ship on a stormy sea. Wilson Poon (Edinburgh) showed how the bacterium’s taillike propeller also acts like a rudder, helping it to stay on course despite the tumult of its microscopic world. Bacteria live at the interface between physics and biology. As the StoMP network shows, collaboration between researchers in these different disciplines can produce deep insights into the structure and behaviour of these most fundamental of organisms. Slides from this event can be downloaded from http://www.nesc.ac.uk/esi/events/962/ Issue 73, September 2009 e-Science Institute call for new Theme proposals The e-Science Institute has issued a fresh call for Theme proposals, with a deadline October 16, 2009. The aim of a Theme is to achieve new insights into a specific topic by investigating it in depth over a sustained period. A theme typically consists of a connected series of events, visitors and workshops. It has to address e-Science research in a deep and sustained effort to advance knowledge and capability in its area. It is expected that the focus for a theme’s activity will be at the eSI in Edinburgh, but the organisers are keen to engage in collaborative activity with other centres and institutes through satellite activity such as associated workshops. A theme is driven by a Theme Leader (TL) who is in effect a funded longterm visitor to eSI and is committed to the topic for its duration. The TL is responsible for developing a connected programme spanning many months and ensuring that it will engage leading researchers in the specific field over an extended period. The theme should bring visitors to the Institute and other e-Scientists to work with the TL throughout its duration. Themes will also contribute to the eSI’s summer schools programme. An ideal theme is one which progresses the goals of a welldefined research community and which will initiate research that will have a wider impact once proven in the original field. Today’s wealth of digital data provides many new research opportunities. The wouldbe leader(s) will have spotted a new strategy to mine those opportunities. They would like to dedicate more time to developing their smart idea and engaging colleagues in raising the effort and exploiting the advance. They will apply to lead a research team, so that the buy out allows them to invest the time and the funds enable them to bring in experts and initiate collaborations. The support from eSI will help them make their mark as the creative minds behind the new idea. More information is available on the eSI Wiki: http://www.nesc.ac.uk/esi/ themes/index.htm NeSC research team settles into new Informatics offices Informatics Foyer To better integrate the research being undertaken at the National e-Science Centre with the research at the School of Informatics, the Research@Nesc team has moved offices, to the brand new Informatics Forum. The team in their new workplace Standing: Rob Kitchen, Gagarine Yaikhom, Prof. Malcolm Atkinson, Jano van Hemert Seated: Liangxiu Han, Yin Chen, Laura Valkonen The other members of the team, unable to attend the photo session, are Chee Sun Liew, Jos Koetsier and David Rodriguez NeSC News Roof garden www.nesc.ac.uk Issue 73, September 2009 Grid Computing Now! wins further funding The Grid Computing Now! Knowledge Transfer Network, a project run jointly by the National eScience centre and UK trade body Intellect for the past four years, has won funding for a further 18 months. The KTN will become part of the Digital Business KTN, which will focus on three programmes: Scalable Computing (building on the foundations of Grid Computing Now! with a focus on Cloud/Utility/ IT as a Service; Sustainability and Distributed Applications/Services), Cyber-Security and Location and Timing. This new KTN will build a close working relationship with the Digital Communications KTN, and the two are expected to merge in March 2011. Introduced in 2005, KTNs have proven that they can bring about collaboration between government, academia and business, encouraging different sectors of UK society to share ideas and successfully partner to deliver results. The Technology Strategy Board, the body responsible for the KTN programme, would like to encourage more knowledge transfer and collaboration between KTN member communities. The memberships of all of the KTNs will be brought together, but each community will also remain intact and identifiable, to keep delivering the service that members have come to reply upon, says Ian Osborne, Project Director. Ian Osborne, Project Director Grid Computing Now/ Digital Business Joint BELIEF-II and CHPC conference announced The BELIEF-II consortium (www.beliefproject.org) and the Centre for High Performance Computing (CHPC) in South Africa, are pleased to announce their upcoming joint conference which will be held on the 7-9 December 2009 at the Sandton International Convention Centre in Johannesburg, South Africa. The event will focus on Advancing research competitiveness through collaboration: towards an integrated South African cyberinfrastructure and revolve around an exciting programme that covers an array of important topics like eEducation, BioInformatics, e-Infrastructures for Social Science. The event aims at highlighting the important results achieved by the Centre for High Performance Computing in South Africa and at fostering dialogues to strength an integrated partnership amongst local and international stakeholders. The programme will explore the contributions and expectations from policy makers, research communities, ICT vendors, industries, academia and EU funded projects. Recent progress in the South African (SAn) cyberinfrastructure will be showcased, along with its role in South Africa and developments in Africa. Keynote research and application results using the cyberinfrastructure will be illustrated, and the latest international developments will be discussed. Abstract submission guidelines are available at http://www.chpcconf.co.za/CHPC-NM-2009-Abstract-template.pdf or email Tracy Cadle (tracy@walthers.co.za). Each delegate will be allocated 20 minutes per presentation. Important Dates: Abstract submission: 02 October 2009 Notification of acceptance of the abstract: 30 October 2009 Registration Deadline: 30 October 2009 This symposium’s discussions will shape a position paper to be sent to key stakeholders and decision makers. Your participation would therefore add considerable value in advancing the agenda of e-Infrastructure R&D in South Africa & Europe in a way that can sustain development in both regions. For more information and registration, visit http://www.chpcconf.co.za or contact Mary-Jane Kgatuke (Email: mkgatuke@csir.co.za) and/or event@beliefproject.org NeSC News www.nesc.ac.uk Issue 73, September 2009 Beyond the Repository Fringe By Florance Kennedy A successful follow-up to the Repository Fringe 08 un-conference was held in the Informatics Forum on 30 and 31 July with almost 100 delegates attending. “Beyond the Repository Fringe” consolidated its reputation for innovation by including what is believed to be the first Pecha Kucha session session to be held in Edinburgh or Scotland. Each presenter is allowed 20 slides, each of which is shown for 20 seconds only. A presentation therefore lasts 6 minutes and 40 seconds. Delegates voted with gold nuggets into the cowboy hats last seen decorating the busts in the Playfair Library a year before, and the runaway winner was Julian Cheal from UKOLN (pictured)for his show entitled “Repository Deposit using Adobe Air”. The other winner of the week was Patrick McSweeney of Southampton who took the Grand Challenge prize. The opening keynote was a double act by Ben O’Steen and Sally Rumsey of Oxford on “A sneak preview at the A-list stars of future repositories: blockbuster technical developments and the cultural drivers behind them”. Clifford Lynch flew in for Day 2 and thanks to the extensive streaming, blogging and tweeting, managed a closing keynote which included reference to events he had not witnessed in person. Julian Cheal, winner of Pecha Kucha Session The round tables held boardroom style generated a lot of interest and participation, and tutorials and presentations rounded off the events for which presenters had volunteered themselves. Two formal workshops on Datashare and Digital Curation 101 were also held. You can see details of presentations and photos at http://wiki.repositoryfringe. org/index.php/Main_Page Clifford Lynch in full flow at the closing keynote. Invitation to Condor Workshop at Cardiff University The Advanced Research Computing Division is pleased to announce that it is holding a Condor Workshop at Cardiff University in the UK on the 16th September 2009. The target audience for this event is both administrators (and potential administrators) and end users of Condor with the event split into two parts. The morning session will explore best practices of service provision and future developments. The afternoon session will showcase the research that Condor is enabling, hopefully broadening its potential use in your institution. Registration for the workshop is now open; see http://www.cf.ac.uk/arcca/services/condor/workshop2009.html for further information. NeSC News www.nesc.ac.uk Issue 73, September 2009 NGS Innovation Forum ’09 – registration open! The NGS is pleased to announce that registration for the NGS Innovation Forum ’09 is now open. The event will be held in The Magic Circle Headquarters in London on the 21st -22nd October. The two day event will showcase the impact that the NGS has had on research in the UK, allow delegates to find out more about using the NGS in applied research, enable IT staff to find out how their institution can benefit from the NGS, and how you can contribute to and influence the future development of the NGS. The first day is primarily aimed at researchers and will feature presentations from existing NGS users that will demonstrate how the NGS has become a powerful research tool in their area. There will be plenty of opportunity for delegates to contribute to the event with 2 breakout sessions covering a variety of topics including communitybased sessions where delegates can meet other researchers in their subject area. The break out sessions currently in place are listed below but further suggestions are welcome: • • • • • • • • Data handling and integration Site integration with the NGS Software licensing User support User communities molecular modelling User communities bioinformatics User communities - social sciences User communities - human biology NGS staff will be on hand throughout the event to speak to delegates about how the NGS could aid their research etc and, for existing users, offering up to the minute advice on optimising your jobs on the NGS. The second day is primarily aimed at those responsible for delivering IT services in their institutions. It will focus on the benefits to an institution of NGS membership and how institutions can get involved with the NGS. There will be presentations on the novel technologies already available on the NGS as well as cloud technology and the NGS as well as a session on outreach and user engagement in institutions. Stairwell, Magic Circle Theatre The event will be held in the exciting surroundings of The Magic Circle Headquarters which is a stones throw from Euston train station. A drinks reception will also be held in the venue on the Wednesday evening where participants will have the chance to meet NGS users from a wide range of research areas. The event is free to attend but registration is required. Delegates are welcome to register for a single day or the full event. Please see the event page on the NGS website to register (www.ngs.ac.uk/ innovationforum09). Advanced Visualization on the NGS The NGS is pleased to announce the addition of another resource to the NGS network. The STFC Visualization cluster is now available through the NGS enabling NGS users to access the cluster through a range of toolkits to analyse their data without having to download the datasets to their desk. The Visualisation Cluster offers visualisation tools such as IRIS Explorer, ParaView, Visualisation ToolKit(VTK), IDL, Chromium and Visit. The cluster is configured to be used as an interactive remote system with NGS, giving the graphics power of cluster to your laptop/desktop. Visualization cluster users are supported under the JISC funded vizNET (http://www.viznet.ac.uk) by the STFC team. Information on how to access this cluster is available on http://sct.esc.rl.ac.uk/viscluster/index.html. Please contact Lakshmi Sastry (lakshmi.sastry@stfc.ac.uk) if you wish to make use of the system and require support. NeSC News www.nesc.ac.uk Issue 73, September 2009 Forthcoming Events Timetable September 8-10 Multicore Workshop - Exploiting Multicore Processors: Challenges and Programming Models NeSC http://www.nesc.ac.uk/esi/events/991/ 9-11 DPA Authors’ Meeting eSI http://www.nesc.ac.uk/esi/events/1013/ 14 & 22 Introduction to R Course eSI http://www.nesc.ac.uk/esi/events/1009/ 14-15 IWPLS’09 International Workshop on Portals for Life Sciences eSI http://www.nesc.ac.uk/esi/events/1000/ 30-1 Mapping Information with and without Geography: Approaches to Data Visualization and Structure in the Arts, Humanities and Social Sciences eSI http://www.nesc.ac.uk/esi/events/1005/ 8 A Patient-Centred NHS - How MCNs Do It eSI 19 OMII-UK Board Meeting NeSC http://www.nesc.ac.uk/esi/events/997/ 20 e-Science Directors’ Forum NeSC http://www.nesc.ac.uk/esi/events/989/ 30 Introducing the JISC services: Back to the NeSC Future October November 3-4 The impact and influence of Web 2.0based Services on e-Research eSI Improving Cancer Care for Children & Teenagers in Scotland eSI December 16 http://www.nesc.ac.uk/esi/events/1012/ This is only a selection of events that are happening in the next few months. For the full listing go to the following websites: Events at the e-Science Institute: http://www.nesc.ac.uk/esi/esi.html External events: http://www.nesc.ac.uk/events/ww_events.html If you would like to hold an e-Science event at the e-Science Institute, please contact: Conference Administrator, National e-Science Centre, 15 South College Street, Edinburgh, EH8 9AA Tel: 0131 650 9833 Fax: 0131 650 9819 Email: events@nesc.ac.uk This NeSC Newsletter was edited by Gillian Law. Email: glaw@nesc.ac.uk The deadline for the October 2009 issue is September 18, 2009 NeSC News www.nesc.ac.uk