Monday, March 18, 2013

WeNMR Workshop @ ISGC2013

While Tom reported the activities at CHAIN-REDS Workshop yesterday, I would like to give some report from the WeNMR Workshop as well. The WeNMR at ISGC 2013 this year is a series of lectures and hands-on training. It was opened yesterday by presentation from Professor Alexandre Bonvin about the WeNMR project and the WeNMR Virtual Research Community. For those who does not know about the WeNMR project, here is some information taken from the WeNMR project website (

"WeNMR  is both a three years project funded under the European Commission’s 7th Framework Programme (e-Infrastructure RI-261571) and a Virtual Research Community supported by EGI, the largest one within the life science area. WeNMR aims at bringing together complementary research teams in the structural biology and life science area into a virtual research community at a worldwide level and provide them with a platform integrating and streamlining the computational approaches necessary for NMR and SAXS data analysis and structural modelling."

After presentation from Professor Alexandre Bovin, the workshop continued to three (impressive) lectures from Dr. Al Kikhney (Biological small angle scattering group, EMBL Hamburg, Germany) about biological Small Angle X-ray Scattering (SAXS) experiments. During the lecture, Dr. Al Kikhney introduced some basic theories of (bio) SAXS and some tools/software that are used for the experiment. From the demo it shows that the software able to produce the result as the experiment using real equipment. He also showed how to run the software at the WeNMR computing infrastructure.

The WeNMR workshop will be continued today with agenda of:

- Presentation of the WeNMR structure calculations/refinement tools – CASD-NMR
- Tutorial on UNIO / Xplor-NIH
- Structure refinement and validation
- Tutorial on AMBER refinement + structure validation
- MAXOCC lecture and tutorial

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