xeniorn/progres repository overview

progres is a Python package that lets you search structures against structural databases, whether the pre-made ones or new ones you can make with progres. See https://github.com/greener-group/progres⁠.

Can run this docker image like this:

docker run -t xeniorn/progres:latest {progress_command}

e.g.

docker run xeniorn/progres:latest progres search -q mystruct.pdb -t scope95

To allow caching of downloaded databases, recommended to mount the db location in the image to a dir on host:

docker run -v /path/to/db/cache:/persist/progres -t xeniorn/progres:latest progres search -q mystruct.pdb -t scope95