Blog Archives

MetWare: metabolomics database project started on SourceForge

November 22, 2007
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The Applied Bioinformatics at PRI group where I now work in Wageningen and the group of Steffen Neumann in Halle have started the MetWare project on Sourceforge to develop opensource databases for metabolomics data.The databases design will be based on...

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An R-based genetic algorithm

November 19, 2007
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During my PhD I wrote a simple but effective genetic algorithm package for R. Because there was a bug recently found, and there is interest in extending the functionality, I have set up a SourceForge project called genalg.The package provides GA support for binary and real-value chromosomes (and integer chromosomes is something that will be...

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XCMS on Ubuntu Feisty

August 27, 2007
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I just installed XCMS 1.9.2 on my Ubuntu system. XCMS is a GPL-ed R package for metabolomics data analysis. Just for the record, you need to install the Feisty packages for NetCDF:sudo aptitude install netcdfg-dev libnetcdf3R CMD INSTALL --library=/usr...

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Further Bioclipse QSAR functionality development

July 26, 2007
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Further Bioclipse QSAR functionality development

I had some time to work some more on the QSAR functionality in Bioclipse. There is still much to do, but it is getting there. The calculation of a QSAR descriptor data matrixThis screenshot shows that multi-resource selection is now working, and that t...

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