Speakers' Notes and Tutorial Notes
(Adobe Acrobat PDF Files, six slides per page)
A single document version of these notes is to be published as CompComm Newsletter No 6 (currently in draft version)
- 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
- 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
- Tutorial HKL data and George Sheldrick Fortran 77 solution (3.2 Meg ZIP)
- 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)
- Zipped example files for Brian Toby Tcl/Tk demo
- 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
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