diff --git a/README.md b/README.md index 30ca168..9eea310 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,11 @@ # CCPBioSim Docking Workshop -[![build](https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml/badge.svg?branch=main)](https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml) +[![ci](https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml/badge.svg?branch=main)](https://github.com/ccpbiosim/docking-workflow/actions/workflows/build.yaml) +[![latest](https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.docking-workflow.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple)](https://github.com/ccpbiosim/docking-workflow/pkgs/container/docking-workshop) +[![issues](https://img.shields.io/github/issues/ccpbiosim/docking-workflow?logo=github&labelColor=grey)](https://github.com/CCPBioSim/docking-workflow/issues) +[![pr](https://img.shields.io/github/issues-pr/ccpbiosim/docking-workflow?logo=github&labelColor=grey)](https://github.com/CCPBioSim/docking-workflow/pulls) + +This workshop source repository contains the build recipe for a docker container derived from the CCPBioSim JupyterHub image. This container adds the necessary software packages and notebook content to form a deployable course container. This is a repository for a set of Jupyter notebooks to create a workflow for docking ligands to multiple protein receptors and analysing the results. @@ -20,19 +25,25 @@ If results are published, please cite all of the software that you used. https://vina.scripps.edu/manual/#citation https://www.rbvi.ucsf.edu/chimerax/docs/credits.html -## Docker +## How to Use -This container is derived from the CCPBioSim JupyterHub image. This container -adds the necessary software packages and notebook content to form a deployable -course container. The source content for this course can be found at -https://github.com/CCPBioSim/docking-workflow +This training course is deployed on the [CCPBioSim](www.ccpbiosim.ac.uk) website via our cloud infrastructure, however you can deploy on your own machine with docker. -## How to Use +Pull the container from our repository:: + + docker pull ghcr.io/ccpbiosim/docking-workflow:latest In our containers we are using the JupyterHub default port 8888, so you should forward this port when deploying locally:: - docker run -p 8888:8888 ghcr.io/ccpbiosim/docking-workshop:latest + docker run -p 8888:8888 ghcr.io/ccpbiosim/docking-workflow:latest + +## Authors + +Workshop Content Authors: +- Geoffrey Wells +## Contact +Please direct all questions and feedback to [Geoffrey Wells](mailto:g.wells@ucl.ac.uk)