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rmcgibbo / openmm-webbuilder

JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
http://builder.openmm.org
GNU General Public License v3.0
12 stars 8 forks source link

Live visualization through Script Builder #13

Open frabjous5 opened 11 years ago

frabjous5 commented 11 years ago

It would be great to have live visualization (preferably VMD) through this application. See feature described in Section 3.4.7 of the OpenMM Zephyr 2.0 User Guide.

rmcgibbo commented 11 years ago

I'm not sure this is really within the scope of the HTML5 script builder. Here, we're basically building up text (the OpenMM script) from a set of drop down menus. Since the webbuilder never actually runs the script (or python or any compiled binaries), this is a really "big" feature. The webbuilder doesn't require that your computer even have OpenMM (or vmd) installed; It runs on a iPhone.

We could add a jmol applet or something to visualize the starting pdb in the browser.