e-Research Sessions at Crystal XXV, Hunter Valley, NSW, April 10 - 13, 2007

e-Research at Crystal XXV


Presentations related to computing and informatics (e-Research) that took place at the 25th meeting of the Australian and New Zealand Crystallographic Society.

Programme and Presentations

Wednesday, Apr 11, 2007

e-Science for Crystallography I
1:30 Alun Ashton:
More speed, more data, more automation, more work?
2:00 Ian Atkinson:
JAINIS (JCU And Indiana Instrument Services) - A Remote Access and Data
Management System for X-Ray Diffraction.
2:15 Peter Turner:
The Rising Power of the Web Browser: Web Services Based Collaborative
Remote Instrument Control and Monitoring
2:30 Chris Myers:
The Victorian eResearch Strategic Initiative (VeRSI) Virtual Beam Line
3:15 Bob von Dreele: Recent advances in protein powder diffraction

Thursday, Apr 12, 2007

e-Science for Crystallography II
1:30 Martin Dove: e-Science for materials research with intensive computational,
data and collaborative requirements
2:15 Kenneth Shankland: Distributed Computing for Crystallography: Experiences and Opportunities
2:40 Noel Faux: e-Research for Crystallography at Monash University
2:55 Jane Hunter: Real-time Collaborative Annotation of 3D Crystallographic Models
3:10 David Abramson: High Throughput Monte-Carlo modelling using the Computational Grid.
Theoretical and Computational Crystallography
4:00 Tom Terwilliger: PHENIX: New methods for automated structure solution, model-building,
ligand-fitting and refinement
4:30 Mark Spackman: Effective molecular polarizabilities and crystal refractive indices from
wavefunctions constrained to fit X-ray structure factors
4:50 Richard Welberry: Disorder in Pentachloronitrobenzene, C6Cl5NO2: A Diffuse Scattering Study
5:10 Ronan Keegan: What's new in CCP4 and developments in the automation of the protein
structure solution process
ARC -- Australian Research Council