Docker

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CentOS 6

1. Make sure epel is available. Update to latest.
2. Install docker via yum:

yum -y install docker-io

3. Start docker service and enable at startup:

service docker start
chkconfig docker on

4. Create docker group and add people to it. People in the docker group can run docker commands.

# sudo groupadd docker
# usermod -aG docker <username>

5. Test docker with a hello-world image as a user in docker group

$ docker run hello-world
Post http:///var/run/docker.sock/v1.19/containers/create: dial unix /var/run/docker.sock: permission denied. Are you trying to connect to a TLS-enabled daemon without TLS?

6. I got an error above but I fixed it by changing group permissions of /var/run/docker.sock from root to docker 7. Run docker again:

# docker run hello-world
Unable to find image 'hello-world:latest' locally
latest: Pulling from hello-world
b6d845cb453c: Pull complete 
3535063d9957: Pull complete 
Digest: sha256:135a30bd414bd8d23e386763e36f3dc4ee8ed25d2d6068082c0af796513d9d0d
Status: Downloaded newer image for hello-world:latest
Hello from Docker!
This message shows that your installation appears to be working correctly.

old page

Tomas Malinauskas from Oxford U writes:

I would like to share my BASH script (Docker 1.0) for high-throughput molecular docking using ligands from ZINC database and ADT as the molecular docking engine:

http://users.ox.ac.uk/~jesu1458/docker/

To illustrate a high-throughput method, docking of the inverse agonist (carazolol)-like ligands to a human beta-2 adrenergic GPCR was performed. Hopefully, Docker 1.0 and the above mentioned page might be useful during tutorials/workshops on virtual screening, ADT, ZINC, etc.

Comments are welcome!

See Autodock