Vibration extension? how to use?

Hi,

I would really appreciate it if somebody could explain how to use the
"vibrations" extension.
When I click the menu item in the Extenstion menu, I’m told that no
vibrations have been calculated.
Well, fair enough, but how do I do that?

Thanks in advance,
Bertwim

When I click the menu item in the Extenstion menu, I’m told that no
vibrations have been calculated.
Well, fair enough, but how do I do that?

Several quantum chemistry formats have support for reading vibrational calculations. The basic idea uses Open Babel’s OBVibrationData structure, which contains a vector of frequencies, intensities, and coordinate displacements.

I’d be happy to help you sketch out code if you’re interested in integrating another program.

Cheers,
-Geoff