Integrative Data Analysis in Visual and Interactive Environment

Orateur : Gaël GORET

Modern scientific research often depends on analyses of data produced by different but complementary techniques, or by different instruments of the same technique. Full exploitation of the information requires integration of all available data. In this talk, I will present the tools that I have developed in the past years for integrating and analyzing large data sets. I will first present a 3D fitting software, call VEDA, allowing to build pseudo-atomic models of macromolecular assemblies by combining x-ray crystallography data and electron microscopy data. While crystallography can produce molecular models at atomic resolution, the technique is difficult to implement in the cases of large complexes. Electron microscopy, on the other hand, allows the imaging of large particles at low to medium resolution. The software VEDA provides a visual environment for interactive fitting of x-ray structures into electron microscopy map. By combining information from the two techniques, large complexes can be interpreted at a resolution necessary to understand biological problems. I will then talk about three tools that I developed for analyzing x-ray scattering data. The first one is a semi-automated fitting module based on least-square minimization applicable to inelastic x-ray scattering spectra. The second is a multi-format diffraction image converter/viewer, which deals with large data sets. The last software allow to reconstruct 3D intensity maps in reciprocal space from a rotational series of diffraction images.

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