Public | Automated Build

Last pushed: 7 months ago
Short Description
https://github.com/metaVariable/Megadock-Docker
Full Description

Note

Now Dockerfile is available at akiyamalab/MEGADOCK.

Dockerfile/README.md


Megadock-Docker

Requirement

  • Docker

Usage

Run megadock sample

docker pull meta1127/megadock-docker
docker run -it meta1127/megadock-docker  \
  mpirun -n 4 megadock-dp -tb SAMPLE.table

Interactive mode (volume mount)

In this command, your current directory $(pwd) will be mounted to [/data] path in container.

# volume mount
docker pull meta1127/megadock-docker
docker run -it -v $(pwd):/data  meta1127/megadock-docker

# copy sample data to mounted directory
mkdir /data/megadock-sample
cp *.pdb SAMPLE.table /data/megadock-sample
cd /data/megadock-sample

# run megadock sample
mpirun -n 4 megadock-dp -tb SAMPLE.table

# exit interactive mode
rm -rf /data/megadock-sample
exit

Docker Hub

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Owner
meta1127
Source Repository