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Collaborative Computational Project No. 4 |
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Collaborative Computational Project No. 4 |
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| Home | Program | Course Material | Application | Accommodation | Location | Participants | Contact us | Sponsors |
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| P. Adams | Phenix | Lawrence Berkeley Laboratory, California, USA | ||
| D. Borek | HKL2000/HKL3000 | Southwestern Medical Center, Dallas, USA | ||
| K. Cowtan | Parrot, Buccaneer | York Structural Biology Laboratory, York University, UK | ||
| Z. Dauter | Data collection strategies, Twinning | Argonne National Laboratory, Chicago, USA | ||
| K. Diederichs | XDS | Universitat Konstanz, Germany | ||
| T. Gruene | Shelx | Georg-August-Universitat, Gottingen, Germany | ||
| R. Keegan | MrBUMP, CCP4 Group | STFC Daresbury Laboratory, UK | ||
| E. Krissinel | PISA | European Bioinformatics Institute, Cambridge, UK | ||
| G. Langer | ARP/wARP | European Molecular Biology Laboratory, Hamburg, Germany | ||
| A. Leslie | Mosflm, iMosflm | MRC-LMB, Cambridge, UK | ||
| B. Lohkamp | Coot | YSBL, York University, UK & Karolinska Institute, Sweden | ||
| E. Merritt | TLS Refinement | University of Washington, USA | ||
| G. Murshudov | Refmac, BALBES | York Structural Biology Laboratory, York University, UK | ||
| R. Pannu | Crank, BP3 | Leiden Institute of Chemistry, The Netherlands | ||
| R. Read | Phaser | Cambridge Institute for Medical Research, University of Cambridge, UK | ||
| T. Terwilliger | Phenix | Los Alamos National Laboratory, USA |
All local speakers from GM/CA-CAT, Advanced Photon Source, Argonne National Laboratory, Argonne, USA
| Morning | Breakfast |
|---|---|
| Lectures on theoretical background of software package(s) | |
| Afternoon | Lunch |
| Tutorials on software package(s) discussed in the morning | |
| Evening | Dinner |
| Problem solving sessions |
Exceptions:
June 24th is a half day and is for user safety training, beamline orientation and lectures on data collection and processing strategies. June 25th is for data collection and real-time processing. June 26th is a half day for data processing. After June 26th students will have access to all tutorials and tutors will be available to answer questions. Students are encouraged to use provided tutorial data as well as try their own data.
In the morning of June 26th lecturers and tutors will make sure software is set up right on computers, presentations are properly copied where they need to be, slides are properly displayed, etc. etc.
June 24th and 25th, pick up your workshop badge and binder outside of room E1100 after breakfast.
June 26th pick up workshop badge and a binder outside of room E1100 after breakfast.
June 29th is a half day. No sessions after lunch. Trip to Chicago.
Below is the detailed program for the workshop. Please check back for updates. There may be minor updates to the program before the workshop takes place but there will be no major departures from this plan.
A printable version (pdf format) of the program is available from here.
| 24 June 2009 | |||
|---|---|---|---|
| Beamline orientation and data collection training | Instructor | Location | |
| All day | Registration throughout the day | Sheila Trznadel | |
| 11:30 | Welcome and Introduction | B. Fischetti N. Sanishvili | A1100 |
| 12:00 | Working lunch - Brief description of problems and crystal | Students with crystals | A1100 |
| 1:00 | Data collection software | GM/CA Staff | A1100 |
| 3:30 | A1100 | ||
| 4:00 | Beamline Tour | GM/CA Staff | Sector 23 |
| 5:00 | All about data(data collection theory) | Z. Dauter | A1100 |
| 6:00 | APS Gallery | ||
| 7:30 | Beamline training (Hutches and goniometry) | GM/CA staff | Sector 23 |
| 8:30 | Final sample preparation, scheduling of data collection, spreadsheets and sample loading | GM/CA staff | Sector 23 |
| 25 June 2009 | |||
| Data collection and processing | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:30 | Data collection and real-time processing | GM/CA staff D. Borek K. Diederichs A. Leslie | APS, Sector 23 |
| 12:30 | APS Gallery | ||
| 1:30 | Data collection and real-time processing | GM/CA staff D. Borek K. Diederichs A. Leslie | APS, Sector 23 |
| 4:30 | APS Gallery | ||
| 5:00 | Data collection and real-time processing | GM/CA staff D. Borek K. Diederichs A. Leslie | APS, Sector 23 |
| 6:00 | APS Gallery or Sector 23 | ||
| 7:30 | Data collection and real-time processing | GM/CA staff D. Borek K. Diederichs A. Leslie | APS, Sector 23 |
| 26 June 2009 | |||
| Data Processing | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Registration | Sheila | Outside Room 1100 |
| 12:00 12:10 | Welcome Introduction | B. Fischetti N. Sanishvili | Room E1100/E1200 |
| 12:30 | APS Gallery | ||
| 1:30 | Data Processing using MOSFLM and Scala | A. Leslie | Room E1100/E1200 |
| 2:15 | HKL2000 | D. Borek | Room E1100/E1200 |
| 3:00 | XDS | K. Diederichs | Room E1100/E1200 |
| 3:45 | APS Gallery | ||
| 4:00 | Twinning and other crystal growth pathologies | Z. Dauter | Room E1100/E1200 |
| 4:45 | Tutorial: Data integration and reduction problem solving | All | Room E1100 |
| 6:00 | APS Gallery | ||
| 7:00-10:00 | Tutorial: Data integration and reduction problem solving | All | Room E1100 |
| 27 June 2009 | |||
| Experimental Phasing | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Shelxd/Shelxe | T. Gruene | Room E1100/E1200 |
| 9:45 | Phaser | R. Read | Room E1100/E1200 |
| 10:30 | APS Gallery | ||
| 11:00 | Crank/BP3 | R. Pannu | Room E1100/E1200 |
| 11:45 | Pirate and around | K. Cowtan | Room E1100/E1200 |
| 12:30 | APS Gallery | ||
| 1:30 | Coot: An introduction | B. Lohkamp | Room E1100/E1200 |
| 2:15 | Tutorial: All tutorials and problem solving | All | Room E1100 |
| 3:30 | APS Gallery | ||
| 4:00 | Tutorials and problem solving continued | All | Room E1100 |
| 6:00 | APS Gallery | ||
| 7:00-10:00 | Problem solving for volunteers | All | Room E1100 |
| 28 June 2009 | |||
| Automation Pipelines and Molecular Replacement | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Automation in Phenix | T. Terwilliger | Room E1100/E1200 |
| 9:45 | Buccaneer | K. Cowtan | Room E1100/E1200 |
| 10:30 | APS Gallery | ||
| 11:00 | MrBUMP | R. Keegan | Room E1100/E1200 |
| 11:45 | BALBES | G. Murshudov | Room E1100/E1200 |
| 12:30 | APS Gallery | ||
| 1:30 | Tutorial: All tutorials Problem Solving | All | Room E1100 |
| 3:30 | APS Gallery | ||
| 4:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 6:00 | APS Gallery | ||
| 7:00-10:00 | Problem solving for volunteers | All | Room E1100 |
| 29 June 2009 | |||
| Morning all tutorials and problem solving Afternoon and evening free time | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Data peculiarities: Twinning, Pseudosymmetry | Z. Dauter G. Murshudov | Room E1100/E1200 |
| 10:30 | APS Gallery | ||
| 11:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 12:30 | APS Gallery | ||
| 1:30 | Bus leaves for Chicago | Chicago | |
| 3:00 | Be a tourist in Chicago | Details later | |
| 9:30 | Bus leaves Chicago for Guest House | Chicago | |
| 30 June 2009 | |||
| Refinement and autobuilding | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Refinement in Phenix | P. Adams | Room E1100/E1200 |
| 9:45 | Refmac | G. Murshudov | Room E1100/E1200 |
| 10:30 | APS Gallery | ||
| 11:00 | Arp/Warp | G. Langer | Room E1100/E1200 |
| 11:45 | TLS and all that | E. Merritt | Room E1100/E1200 |
| 12:30 | APS Gallery | ||
| 1:30 | Tutorial: All tutorials Problem Solving | All | Room E1100 |
| 3:30 | APS Gallery | ||
| 4:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 6:00 | APS Gallery | ||
| 7:00-10:00 | Problem solving for volunteers | All | Room E1100 |
| 1 July 2009 | |||
| Model building and validation | Instructor | Location | |
| 8:30 | APS Gallery | ||
| 9:00 | Ligands and ligand dictionary | GM and PA | Room E1100/E1200 |
| 9:40 | Automatic ligand fitting with ARPwARP | G. Langer | Room E1100/E1200 |
| 10:00 | PISA | E. Krissinel | Room E1100/E1200 |
| 10:45 | APS Gallery | ||
| 11:15 | Coot | B. Lohkamp | Room E1100/E1200 |
| 12:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 12:30 | APS Gallery | ||
| 1:30 | Tutorial: All tutorials Problem Solving | All | Room E1100 |
| 3:30 | APS Gallery | ||
| 4:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 6:00 | APS Gallery | ||
| 2 July 2009 | |||
| Finalise | Instructor | Location | |
| 2 July 2009 | Problem Solving | Location | |
| 9:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 10:30 | APS Gallery | ||
| 11:00 | Tutorials and Problem solving continued | All | Room E1100 |
| 12:00 | Final remarks | N. Sanishvili R. Keegan G. Murshudov | Room E1100 |
| 12:30 | APS Gallery | ||
| 1:30 | End of workshop and departure | ||
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