then, run the below command, replacing test.cif with your valid .pdb or .cif file: docker run --gpus all -it -v $(pwd)/test.cif:/app/input/test.cif -v $(pwd)/results ...

install Install one, more, or all versions from a python-build-standalone release. update (or upgrade) Update one, more, or all versions to another release. remove (or uninstall) Remove/uninstall one, ...