JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
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README.md

openmm-webbuilder

webapp for generating custom OpenMM scripts

Build Status

Development

The app is almost 100% javscript, running in the browser. But interaction with the server is required for saving the script to disk and saving the script to gist. To run the development server on http://locahost:5000, run

python app.py

Rebuilding the minified libraries

The content from the public/js/libs/ folder is being served minified. If you add more libraries, or modify one of the library codes, you can regenerate the minified public/js/lib.min.js. The "app" javascript is not being minified, so you only need to worry about this if you mess with the libs. To rebuildpublic/js/lib.min.js, run

uglifyjs `find public/js/libs -name '*.js'` -c -m -o public/js/lib.min.js

This obviously requires uglifyjs, which is a node package. You'll need node.js and then you can install uglifyjs with npm -g install uglify-js.

Thanks to