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
Follow these steps to build the image:
-
Download Procheck including all subpackages as a single TAR file, named PROCHECK.tar, and save it to this directory.
-
Run the following command to build the image:
$ docker build --force-rm -t ajsmith/procheck .
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
Alexander Smith
Apache Public License 2.0