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Some colleagues of mine build a similar tool, http://molcalc.org/ http://molcalc.org/ It gives you access to a lot more properties of the molecule you build th
by KPLauritzen 11y ago
Some colleagues of mine build a similar tool, http://molcalc.org/ http://molcalc.org/
It gives you access to a lot more properties of the molecule you build than just the energy: Thermodynamics, solvation energies, vibrational frequencies etc.
- mohebifar 11y agoThat is a great project but its back-end is written in php and it uses open babel via "shell_exec" function. All I wanted to do was making another powerful package completely written in JavaScript (Using node.js in back-end) which only requires a good knowledge of JavaScript to develop the application. I also ported Open Babel into Node.js so that you can use this library with native js codes. As far as I know there is no chemical application built on top of Node.js. This application can be extended and developed so fast as JavaScript is becoming more and more popular (Just take a look at this data visualization: githut.info) meaning that more developers and volunteers can contribute on this platform.
- goldfeld 11y agoThis would be sweet with an API so that I could embed the molecule editor in a nodejs app (like using Electron) and control some things from my app.