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Test your molecular designs online, free

from the where-angels-fear-to-tread dept.
We need a review of the experimental HyperCube Compute Server. It is a free web-based service offering computational chemistry: "You go to the compute page to draw your molecule and select the type of calculation you want to perform. At this stage we are offering two type of calculations. The first shows the molecular orbitals calculated using the 3D structure created by HyperChem's modelbuilder. The second shows the optimized structure and infra-red spectra of your drawn molecule. Both of these calculations are performed using the PM3 semi-empirical method." Caveat: it is highly Microsoft-oriented, and not open source.

One Response to “Test your molecular designs online, free”

  1. redbird Says:


    We need legos like this. If kids are playing around with toy molecules now, they'll be playing around with the real thing in the future. I know that I program computers because I played with video games when I was younger and had a hogepodge of legos that required some creativity to come up with something (just like old sk00l h4>or5 had to).

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