Commission on Crystallographic Computing
Bangalore 2017 Programme
Program
Day 1 - August 15th
Introduction
Local organiser
Macromolecular crystallography: from isolated programs to full package
Eleanor Dodson
Crystallographic methods: historical perspective
M. R. N. Murthy
Statistics and Bayesian statistics in crystallography
Tom Terwilliger
Structure factor statistics and electron density
Garib Murshudov
Day 2 - August 16th: Basic crystallography and algorithms
Kay Diederichs
Processing data collected with Pilatus/Eiger detectors
James Parkhurst
Coffee break
High-performance computing using python and OpenCL/
modular approach to crystallographic software development
Vincent Favre-Nicolin
Lunch
Tutorials
Design of pipelines: Reuse of existing tools
Santosh Panjikar
GUI design: science or psychology?
Harry Powell
Dinner
Day 3 - August 17th: Software development and tools
Singular-value decomposition of Rietveld least-squares matrix
Patrick Mercier
Recent advances in refinement of small molecule structures
Richard Cooper
Coffee break
IISC Alumni Association Lecture
Eleanor Dodson
Lunch
Tutorials
Discussions - Software tools and languages in crystallography
Fundamental parameters approach in X-ray powder diffraction
Marcus Mendenhall
Computational and graphical tools in powder diffraction analysis
Corrado Cuocci
Dinner
Day 4 - August 18th: Powder diffraction and structure solution methods
Visit to Mysore Palace, Bird Sanctuary
Coffee break
Lunch
Venue Resort near Mysore (to be finalized)
Structure solution from powder data
Corrado Cuocci
Algorithms and coding of PDF approach to analyze nanophase materials
Simon Billinge
Discussions
Dinner
Day 5 - August 19th: Challenges in crystallographic software development and beyond
Electron Diffraction data - new perspectives
Lucáš Palatinus
Free electron laser data - problems and challenges
Thomas White
Coffee break
Tutorials
Lunch
Shekhar Mande
Neutron diffraction scattering analysis / Software development workflow
Simon Billinge
Discussions - Challenges in crystallographic computing
Cricket Match IISc Gymkhana grounds 4:30-6:30pm
Dinner
Day 6 - August 20th
Breakfast and departure