Docker builds for rDock docking program
For details about rDock look here
- Dockerfile is a build for rdock. Find image on Dockerhub at informaticsmatters/rdock.
- nextflow/Dockerfile also contains Nextflow which is useful for running more complex pipelines. Find image on Dockerhub at informaticsmatters/rdock_nextflow.
Note: the rDock source code is modified slightly to remove the check that the ligand structures are 3D structures.
The way that rDock does this check is very picky and often real 3D structures fail this check.
A better solution is needed for this. See this commit for the changes.