Computational Chemistry Galaxy Docker Image

Computational chemistry datatypes and tools in a box, an easy-way to test out workflows and tools for computational chemistry.

Usage

• Install Docker software (see the Docker project)
• Run the docker image (from DockerHub)
  • docker run -d -p 8080:80 -p 8021:21 -p 8022:22 galaxycomputationalchemistry/docker-galaxy-computational-chemistry
  • OR build locally:
    • docker build -t my-docker-cc-test .
    • Run: docker run -d -p 8080:80 my-docker-cc-test
• Use: Open web browser http://localhost:8080

Will take 1-2 mins to come up, follow the logs to see status: sudo docker logs $dockerid -f

Attributions

Leveraged from https://github.com/bgruening/docker-galaxy-stable and https://github.com/bgruening/docker-galaxy-chemicaltoolbox

Issues

Use GitHub issues for this project.

Contributing

Chat on gitter