MetFamily: identification of regulated metabolite families.
Shell
Pull request Compare This branch is 13 commits ahead, 11 commits behind korseby:master.
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
traefik
Dockerfile
README.md
_build.sh
_run.sh
metfamily.png
supervisord.conf
test_cmds.txt

README.md

screenshot

MetFamily

Version: 1.0.2

Short description

Identification of regulated metabolite families.

Description

The MetFamily web application is designed for the identification of regulated metabolite families. This is possible on the basis of metabolite profiles for a set of MS features as well as one MS/MS spectrum for each MS feature. Group-discriminating MS features are identified using a principal component analysis (PCA) of metabolite profiles and metabolite families are identified using a hierarchical cluster analysis (HCA) of MS/MS spectra. Regulated metabolite families are identified by considering group-discriminating MS features from corporate metabolite families.

Tool Authors

Container Contributors

Website

Git Repository

Installation

For local individual installation:

docker pull docker-registry.phenomenal-h2020.eu/phnmnl/metfamily

Usage Instructions

For direct docker usage:

docker run docker-registry.phenomenal-h2020.eu/phnmnl/metfamily ...

For launchin with traefik:

docker-compose -f traefik/docker-compose.yaml up -d
curl -H Host:metfamily.docker.localhost http://localhost:80

Publications

Treutler H, Tsugawa H, Porzel A, Gorzolka K, Tissier A, Neumann S, Balcke GU (2016): Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies. Anal Chem 88(16):8082-90. doi:10.1021/acs.analchem.6b01569