Commission on Crystallographic Computing

These are the speakers' notes (in PDF format) from the Bangalore Computing School. Some may be accompanied by PPTX or PPT files that contain animations which cannot be rendered correctly in static PDFs.

Eleanor Dodson - Macromolecular crystallography: from isolated programs to full package

M. R. N. Murthy - Crystallographic methods: historical perspective   
Tom Terwilliger - Statistics and Bayesian statistics in crystallography   
Garib Murshudov - Structure factor statistics and electron density   

Kay Diederichs - Quality of diffraction data   
James Parkhurst - Processing data collected with Pilatus/Eiger detectors   

Vincent Favre-Nicolin - High-performance computing using python and OpenCL/modular approach to crystallographic software development   

Santosh Panjikar - Design of pipelines: Reuse of existing tools   
Harry Powell - GUI design: science or psychology?                     

Patrick Mercier - Singular-value decomposition of Rietveld least-squares matrix   
Richard Cooper - Recent advances in refinement of small molecule structures   

Eleanor Dodson - IISC Alumni Association Lecture   

Marcus Mendenhall - Fundamental parameters approach in X-ray powder diffraction            
Corrado Cuocci - Structure solution from powder data - direct methods  

Corrado Cuocci - Structure solution from powder data - real space methods  
Simon Billinge - Algorithms and coding of PDF approach to analyze nanophase materials   

Lucáš Palatinus - Electron Diffraction data - new perspectives   
Thomas White - Free electron laser data - problems and challenges   

Shekhar Mande - TLS and normal modes   
Simon Billinge - Neutron diffraction scattering analysis / Software development workflow 

Bangalore, India - Crystallographic Computing School (15th-20th August 2017)

These pages are maintained by the Commission Last updated: 15 Oct 2021