Speakers' notes and tutorial notes

(Adobe Acrobat PDF files, six slides per page)

• Introductory talk - Ton Spek
• Porting between Operating Systems - Harry Powell
• Modern approaches to programming - Ralf Grosse-Kunstleve
• Using available tools - Louis Farrugia
• Scripting languages / Spectrum of languages - Ralf Grosse-Kunstleve
• Synopsis: Legacy Codes. Do They Have Any Value? - David Watkin
• Powerpoint Presentation: Legacy Codes. Do They Have Any Value? - David Watkin
• Complete rewrites. When, why, and how? - James W. Pflugrath
• Coordinate systems, operators, and transformations - Kevin Cowtan
• "New" algorithms - Tom Terwilliger
• Connecting programs together - Louis Farrugia
• Program Suites - Harry Powell
• GUI Design - Brian H. Toby
• Automated data collection and integration - Rob Hooft
• Operating Hardware - Rob Hooft
• Integration of 2D diffraction images - James W. Pflugrath
• Atomic pair distribution function (PDF) analysis: What, When, Why, How? - Simon J.L. Billinge
• Dealing with overlapped data - Bill David
• Programming the Science of Crystallography - Ton Spek
• Simple algorithms for macromolecular phasing - George M. Sheldrick
• Automation of structure determination - Tom Terwilliger
• Crystallographic Symmetry in Real and Reciprocal Space - Kevin Cowtan
• Profile refinement Least-squares analysis and beyond - Bill David
• Fourier Transforms in Crystallography - Lynn ten Eyck
• Maximum Likelihood in X-ray Crystallography - Kevin Cowtan
• Overview of Crystallographic Structure Refinement - Lynn ten Eyck
• Refinement II - Modern Developments - Dale E. Tronrud
• CCP14 workshop Notes: On Minimization Targets and Algorithms - Dale E. Tronrud
• Computational aspects of the Rietveld Method - Juan Rodríguez-Carvajal
• Statistical Treatment of Uncertainties - Dale E. Tronrud
• Programming pdCIF and Rietveld - Brian H. Toby
• Structure Comparison, Analysis and Validation - Ton Spek
• Testing software - Harry Powell
• The future of direct methods - George M. Sheldrick

Siena 2005 IUCr Crystallographic Computing School Tutorials :

• Using the Clipper libraries - Kevin Cowtan
• Exercises in map manipulation - Kevin Cowtan
  • Zipped tutorial data for Kevin Cowtan Map manipulation tutorial
• Reciprocal Space Tutorial - George M. Sheldrick
  • Tutorial HKL data and George Sheldrick Fortran 77 solution (3.2 Meg ZIP)
    George Sheldrick Fortran 77 source code within Adobe PDF file
  • Tim Gruene C++ solution (ZIP file)
    Tim Gruene C++ source code within Adobe PDF file
  • Michel Fodje C++ solution and output (ZIP file)
    Michel Fodje C++ source code within Adobe PDF file
    Michel Fodje Small Matrix C++ source code within Adobe PDF file
  • Juan Rodríguez-Carvajal Fortran-95 solution (including DOS/MS-Windows binary, input and output) (9.6 Meg ZIP file)
    Juan Rodríguez-Carvajal Fortran-95 source code within Adobe PDF file
  • Bradley Smith Java solution (includes the HKL data file) (3.3 Meg ZIP file)
    Bradley Smith Java source code within Adobe PDF file
  • Stephan Ruehl Fortran solution
    Stephan Ruehl Fortran source code within Adobe PDF file
  • Ralf W. Grosse-Kunstleve Python solution
    Ralf W. Grosse-Kunstleve initial Python source code within Adobe PDF file
    Ralf W. Grosse-Kunstleve slightly enhanced Python source code within Adobe PDF file
• CrysFML: A crystallographic library in modern Fortran - Juan Rodríguez-Carvajal
• Connecting to hardware - Rob Hooft
  • Message from Rob Hooft: "I am willing to assist in running the tutorial even now. If someone contacts me, I will start the server end of the exercise, and they can write the client."
• Tcl/Tk demo - Brian Toby
  • Zipped example files for Brian Toby Tcl/Tk demo
  • Zipped NCNRPack tcltk shells for Windows, Linux and Mac for Brian Toby Tcl/Tk demo (5.6 Meg)
• CCTBX Unit Cell Refinement Tutorial - Ralf W. Grosse-Kunstleve
• CCTBX Direct Methods Tutorial - Ralf W. Grosse-Kunstleve
• CCTBX Central Types - Ralf W. Grosse-Kunstleve
• Tutorial on scoring methods for evaluation of electron density maps - Tom Terwilliger