[school logo bangalore]

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

Draft 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
Day 2 - August 16th: Basic crystallography and algorithms

Statistics and Bayesian statistics in crystallography
Tom Terwilliger
Structure factor statistics and electron density
Garib Murshudov
Coffee break

Tutorials

Lunch

Tutorials

Quality of diffraction data
Kay Diederichs
Processing data collected with Pilatus/Eiger detectors
James Parkhusrt
Dinner

Day 3 - August 17th: Software development and tools

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

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

Tutorials

Singular-value decomposition of Rietveld least-squares matrix
Patrick Mercier
Recent advances in refinement of small molecule structures
Richard Cooper
Discussions - Software tools and languages in crystallography

Dinner

Day 4 - August 18th: Powder diffraction and structure solution methods
Fundamental parameters approach in X-ray powder diffraction         
Marcus Mendenhall
Computational and graphical tools in powder diffraction analysis
Corrado Cuocci
Coffee break

Tutorials

Lunch

Structure solution from powder data
Corrado Cuocci
Algorithms and coding of PDF approach to analyze nanophase materials
Simon Billinge
Selected poster presentations

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

Tutorials

TLS and normal modes
Shekhar Mande
Neutron diffraction scattering analysis   
Simon Billinge
Discussions - Challenges in crystallographic computing
Dinner

Day 6 - August 20th

Breakfast and departure