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MetFrag Docker

MetFrag is a tool for in-silico fragmentation for computer assisted identification of metabolite mass spectra.

Building the Docker image

Building the docker file generally is not needed. You can pull it from the official dockerhub registry:

docker search metfrag docker pull korseby/metfrag

Using the Docker image

After building or pulling the image, you need to specify a settings.properties file in the docker run command line (Refer https://github.com/c-ruttkies/MetFragRelaunched for details on how to generate such a file.).

docker run --publish=8080:8080 --log-driver=syslog --volume=settings.properties:/usr/src/MetFragRelaunched/MetFragWeb/src/main/webapp/resources/settings.properties:ro --name=metfrag-run -i -t -d korseby/metfrag

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