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Bidimensional NMR annotation for Galaxy

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Our project

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.

BARSA

Algorithm for Bidimensional NMR Spectra Annotation

Galaxy

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/

Dependencies using Conda

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The main recipe: https://github.com/bioconda/bioconda-recipes/tree/master/recipes/r-ptw

#To install miniconda2
#http://conda.pydata.org/miniconda.html
#To install the needed R library using conda:
conda install r-batch r-dplyr r-ggplot2 r-openxlsx r-stringr r-tidyr

#To set an environment:
conda create -n 2DNmrAnnotation r-dplyr r-ggplot2 r-openxlsx r-stringr r-tidyr

#To activate the environment:
. activate 2DNmrAnnotation

Conda is package manager that among many other things can be used to manage Python packages.

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