/docker-procheck

Build Procheck in a Docker image.

Primary LanguageShellApache License 2.0Apache-2.0

docker-procheck

This project provides resources to build Procheck in a Docker image.

Note that this project does not distribute Procheck itself, so you must download it separately.

Requirements:

  • Docker

Building

Follow these steps to build the image:

  1. Download Procheck including all subpackages as a single TAR file, named PROCHECK.tar, and save it to this directory.

  2. Run the following command to build the image:

$ docker build --force-rm -t ajsmith/procheck .

Usage

Once built, the general usage pattern is to run the container and mount in the model file that you want to validate. Below is a typical session which generates validation output:

$ docker run --rm -it -v $(pwd):/home/me/model-files ajsmith/procheck bash
$ cd model-files/
$ export prodir=/opt/procheck
$ /opt/procheck/procheck.scr mymodel.pdb
$ exit

Authors

Alexander Smith

License

Apache Public License 2.0