pyMOL Container

Two versions available: nvidia and mesa-supported container. For nvidia support, you need to install nvidia driver on host and install nvidia-docker2.

To download:

1. docker pull afandiadib/pymol:nvidia
2. docker pull afandiadib/pymol:mesa

Example of usage:

mesa-supported pyMOL container

docker run --rm --user=$(id -u) \
           --workdir=`pwd` \
           --env=DISPLAY \
           --volume=/home/$USER:/home/$USER \
           --volume=/media:/media \
           --volume=/mnt:/mnt \
           --volume=/etc/group:/etc/group:ro \
           --volume=/etc/passwd:/etc/passwd:ro \
           --volume=/etc/shadow:/etc/shadow:ro \
           --volume=/etc/sudoers.d:/etc/sudoers.d:ro \
           --volume=/tmp/.X11-unix:/tmp/.X11-unix:rw \
           --volume=/usr/share/fonts/:/usr/share/fonts/:ro \
           --volume=/usr/share/icons:/usr/share/icons \
           --device=/dev/dri \
           afandiadib/pymol:mesa

If permission denied, you need to change ownership of /dev/dri on host for gpu acceleration. sudo chown -R $USER /dev/dri

nvidia-supported pyMOL container

docker run --rm --user=$(id -u) \
           --workdir=`pwd` \
           --env=DISPLAY \
           --volume=/home/$USER:/home/$USER \
           --volume=/media:/media \
           --volume=/mnt:/mnt \
           --volume=/etc/group:/etc/group:ro \
           --volume=/etc/passwd:/etc/passwd:ro \
           --volume=/etc/shadow:/etc/shadow:ro \
           --volume=/etc/sudoers.d:/etc/sudoers.d:ro \
           --volume=/tmp/.X11-unix:/tmp/.X11-unix:rw \
           --volume=/usr/share/fonts/:/usr/share/fonts/:ro \
           --volume=/usr/share/icons:/usr/share/icons \
           --runtime=nvidia \
           afandiadib/pymol:nvidia