Commission on Crystallographic Computing
Programme
School Programme
| Thursday 18th August | Friday 19th August | Saturday 20th August | Sunday 21st August | Monday 22nd August | Tuesday 23rd August | |
| 07:30 - 09:00 | breakfast | |||||
| 09:00 - 09:45 | modern approaches to programming Ralf Grosse-Kunstleve (Berkeley) | intro to connecting programs together Louis Farrugia (Glasgow) | dealing with overlapped data Bill David (RAL) | Fourier methods Lynn ten Eyck (San Diego) | programming for CIF Brian Toby (NIST) | |
| 09:45 - 10:30 | using available tools Louis Farrugia (Glasgow) | program suites Harry Powell (Cambridge) | programming the science of crystallography Ton Spek (Utrecht) | Maximum likelihood and its role in structure solution Kevin Cowtan (York) | structure comparison, analysis & validation Ton Spek (Utrecht) | |
| 10:30 - 11:00 | coffee | |||||
| 11:00 - 11:45 | scripting languages Ralf Grosse-Kunstleve (Berkeley) | GUI design Brian Toby (NIST) | Simple algorithms for Macromolecular Phasing George Sheldrick (Göttingen) | refinement I - classical techniques Lynn ten Eyck (San Diego) | testing software Harry Powell (Cambridge) | |
| 11:45 - 12:30 | arrival & registration | maintenance & development of legacy code David Watkin (Oxford) | automated data collection and integration Rob Hooft (Bruker-AXS) | automated structure solution Tom Terwilliger (Los Alamos) | refinement II - modern developments Dale Tronrud (Oregon) | Future of Direct Methods George Sheldrick (Göttingen) |
| 12:30 - 15:00 | lunch | |||||
| 15:00 - 15:45 | complete rewrites - when, why and how? Jim Pflugrath (MSC/Rigaku) | operating hardware Rob Hooft (Bruker-AXS) | symmetry in the modern world Kevin Cowtan (York) | Rietveld refinement Juan Rodriguez-Carvajal (CEA-CNRS) | depart for Florence (bus will be provided as part of Siena School registration cost) | |
| 15:45 - 16:30 | coordinate frames and operators Kevin Cowtan (York) | integration Jim Pflugrath (MSC/Rigaku) | powder crystallography - structure solution Bill David (RAL) | statistical treatment of uncertainties Dale Tronrud (Oregon) | ||
| 16:30 - 17:15 | workshops/projects | |||||
| 17:15 - 17:20 | Welcome from the University of Siena Marcello Mellini | |||||
| 17:20 - 17:30 | Welcome Davide Viterbo (IUCr Executive Committee representative) | |||||
| 17:30 - 18:15 | Introductory talk Ton Spek (Utrecht) | |||||
| 18:15 - 19:00 | Porting between Operating Systems Harry Powell (Cambridge) | |||||
| 19:00 - 19:45 | Presentation of the Projects Harry Powell (Cambridge) | "new" algorithms Tom Terwilliger (Los Alamos) | pair distribution functions (PDF) Simon Billinge (Michigan) | 3 x student presentations | 3 x student presentations | |
| 20:00 - late | dinner (Dinner in downtown Siena on Saturday 20th - included in cost of school registration) | |||||