Merge pull request #18 from CCPBioSim/jimboid-patch-1

Update README with workshop and usage information

Author: jimboid

README.md

@@ -1,3 +1,12 @@
+# CCPBioSim Protein Analysis Workshop
+
+[![ci](https://github.com/ccpbiosim/protein-analysis-workshop/actions/workflows/build.yaml/badge.svg?branch=main)](https://github.com/ccpbiosim/protein-analysis-workshop/actions/workflows/build.yaml)
+[![latest](https://img.shields.io/badge/dynamic/json?url=https%3A%2F%2Fccpbiosim.github.io%2Fworkshop.json&query=%24.containers.protein-analysis-workshop.latest&labelColor=grey&logo=github&logoColor=white&label=latest&color=purple)](https://github.com/ccpbiosim/protein-analysis-workshop/pkgs/container/protein-analysis-workshop)
+[![issues](https://img.shields.io/github/issues/ccpbiosim/protein-analysis-workshop?logo=github&labelColor=grey)](https://github.com/CCPBioSim/protein-analysis-workshop/issues)
+[![pr](https://img.shields.io/github/issues-pr/ccpbiosim/protein-analysis-workshop?logo=github&labelColor=grey)](https://github.com/CCPBioSim/protein-analysis-workshop/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 workshop introduces the application of MDTraj to the analysis of protein simulation data
 
 It is in two parts:
@@ -7,3 +16,26 @@ An introduction to the use of MDTraj for the analysis of simulations. The data c
 
 2. EQUILIBRATION
 An introduction to a key issue in MD simulation: testing for equilibration, sampling, and convergence. The data here comes from a long simulation of a different protein, chignolin.
+
+## How to Use
+
+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.
+
+Pull the container from our repository::
+
+    docker pull ghcr.io/ccpbiosim/protein-analysis-workshop: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/protein-analysis-workshop:latest
+
+## Authors
+
+Workshop Content Authors:
+
+- Charlie Laughton
+
+## Contact
+
+Please direct all questions and feedback to [Charlie Laughton](mailto:charles.laughton@nottingham.ac.uk)