workflow4metabolomics/nmr_annotation

Name: nmr_annotation

Owner: Workflow4Metabolomics

Description: ASICS-based annotation for 1H-NMR spectrum

Created: 2017-12-29 10:14:43.0

Updated: 2017-12-29 10:19:06.0

Pushed: 2017-12-29 10:19:06.0

Homepage: null

Size: 1580

Language: R

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README

NMR Annotation for Galaxy

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.

NMR Annotation

Annotation of complex mixture NMR spectra and metabolite proportion estimation

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

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

install miniconda2
p://conda.pydata.org/miniconda.html
install the needed R library using conda:
a install r-batch
a install r-ASICS
set an environment:
a create -n nmr_annotation r-batch`
a create -n nmr_annotation r-ASICS`
activate the environment:
tivate nmr_annotation

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

Travis

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Historic contributors

• Marie Tremblay-Franco @mtremblayfr - French Metabolomics and Fluxomics Infrastructure (MetaboHUB) - MetaToul
• Gildas Le Corguillé @lecorguille - ABiMS / IFB - UPMC/CNRS - Station Biologique de Roscoff - France