The Workflow4Metabolomics, W4M in short, is a French infrastructure offering software tool processing, analyzing and annotating metabolomics data. It is based on the Galaxy platform.
Alignment of NMR spectra based on the Cluster-based Peak Alignment (CluPA) algorithm
Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.
Homepage: https://galaxyproject.org/
The main recipe: https://github.com/bioconda/bioconda-recipes/tree/master/recipes/r-speaq
#To install miniconda2
#http://conda.pydata.org/miniconda.html
#To install the needed R library using conda:
conda install r-batch r-speaq
#To set an environment:
conda create -n nmr_alignment r-batch r-speaq`
#To activate the environment:
. activate nmr_alignment
Conda is package manager that among many other things can be used to manage Python packages.
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- Marie Tremblay-Franco @mtremblayfr - French Metabolomics and Fluxomics Infrastructure (MetaboHUB) - MetaToul
- Gildas Le Corguillé @lecorguille - ABiMS / IFB - UPMC/CNRS - Station Biologique de Roscoff - France