BUDE Alanine Scan

This repository contains the code for the BAlaS web application. The application consists of three services: the front-end server, a service that runs the BudeAlaScan jobs and a database for the job queue and holding the results. Each of these services run inside of a Docker container.

References

Wood CW et al (2020) BAlaS: fast, interactive and accessible computational alanine-scanning using BudeAlaScan, Bioinformatics, btaa026.

Ibarra AA et al (2019) Predicting and Experimentally Validating Hot-Spot Residues at Protein–Protein Interfaces, ACS Chem. Biol., 14, 2252-2263.

Building and Running

To build and run the application (in development mode), you need to have Docker installed on your computer. Once Docker is installed, there are a few steps required to run the application:

1. Clone the repository to your computer (or fork it and clone if you plan to make alterations!)
2. Download the Linux version of Scwrl 4 and add it to the dependencies\_for\_isambard/ folder.
3. Download and install the Elm compiler: npm install -g elm
4. cd web/elm-src
5. elm make Main.elm --debug --output=../static/elm/bals.js
6. Run docker-compose up --build.

Once these steps have been taken the application should be available on 0.0.0.0:3803. This docker-compose.yml creates a shared volume between your computer and the Docker container, which means that you can modify the web app, recompile the Elm code and fully refresh your browser (ctrl+shift+r generally) and the changes will be live. If you make changes to the back-end code restart the Docker containers.

Good luck, have fun and feel free to report any issues on the GitHub page.