Computational chemistry datatypes and tools in a box, an easy-way to test out workflows and tools for computational chemistry.
- 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
Leveraged from https://github.com/bgruening/docker-galaxy-stable and https://github.com/bgruening/docker-galaxy-chemicaltoolbox
Use GitHub issues for this project.
Chat on gitter