Programme for CCP4 Study Weekend 2004

Model Building & Refinement CCP4 Study Weekend, 4-5 January 2004, University of Leeds
Scientific Organisers: Martin Noble, Tassos Perrakis

Note: CCP4 Workshop and all talks to he held in Conference Auditorium

Saturday 3 January 2004
14:00 Registration begins at the Senior Common Room
19:00 Registration ends
Sunday 4 January
07:30-09:00 Breakfast
08:30 Registration to be held in Conference Auditorium
09:00-10:30 Mini workshop on Introduction to CCP4 Introduction to CCP4
10:00 Tea and coffee
Session 1: Introduction / Overview
11:00 Welcome
11:10 Alwyn Jones Uppsala University Interactive Electron Density Map Interpretation
Session 2: Approaches towards automated model building
11:50 Paul Emsley University of York Model Building Tools for Molecular Graphics
12:15 Kevin Cowtan University of York Overcoming the Fffear of Buccaneers
12:40 Lunch to be held at the Sports Auditorium
Session 2 (continued): Approaches towards automated model building
14:00 Richard Morris EBI, Cambridge Statistical Pattern Recognition for Macromolecular Crystallographers
14:25 Tom Terwilliger Los Alamos Iterative automated model-building and statistical density modification
14:50 Zbyszek Otwinowski UT Southwestern Medical Centre Assembling proteins from typical fragments
15:15 Vito Calderone University of Siena, Italy Practical aspects in the integration of different softwares in protein structure solution
15:30 Tea
Session 3: Refinement
16:00 Dale Tronrud Howard Hughes, Oregon On minimization targets and algorithms
16:30 Airlie McCoy CIMR, Cambridge Maximum Liklihood
16:55 Garib Murshudov University of York New developments and future plans in the macromolecular refinement program - REFMAC
17:20 Gérard Bricogne Global Phasing Statistical and Optimisation Aspects of Structure Refinement and Completion
17:45 Navraj Pannu Leiden University, The Netherlands Direct incorporation of experimental phase information in model refinement
18:10 End session for dinner
19:00 Conference Dinner at the Refectory
Monday 5 January
Session 4: Phase recycling, Model completion and ligand fitting
09:00 Piet Gros Utrecht University Recycling fragment models: giant leaps or small steps ...
09:30 Pietro Roversi LMB, Oxford Refinement of severely incomplete structures with Maximum Likelihood in BUSTER-TNT
10:00 Serge Cohen NKI, Amsterdam New model completion capabilities of ARP/wARP
10:20 Petrus Zwart EMBL, Hamburg Ligand Building Principles in ARP/wARP
10:40 Coffee
Session 5: Validation and Analysis
11:00 Gerard Kleywegt Uppsala University The Uppsalla Electron Density Server - Where seeing is believing ...
11:30 Duncan McRee ActiveSight Inc,San Diego Binding and Grinding at ActiveSight
11:55 Eugene Krissinel EBI, Cambridge New CCP4 Coordinate Library and applications based on it
12:20 Thomas Schneider IFOM, Milan ESCET: A tool for including coordinate uncertainties into structure comparisons
12:45 Lunch
Session 6: Illustration (and more analysis)
14:00 Warren Delano DeLano Scientific LLU,, California PyMOL: How Pursuit of an Open-Source Molecular Modeling Environment Can Promote Understanding of Molecular Systems
14:40 Robert Esnouf Wellcome Trust Centre for Human Genetics, Oxford BobScript: how to get the most out of your pet dinosaur
15:10 Martin Noble LMB, Oxford Molecular graphics to link structure to function
15:30 Liz Potterton University of York Progress and perspectives for the CCP4 MG project
16:00 Close

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