DrawVib is a powerful graphical interface for visualizing and analyzing vibrational spectra as well as atomic displacements of vibrational normal modes calculated by a quantum chemistry program.
Features
With DrawVib, you can:
- Analyze a particular QM result calculated by Gaussian, Gamess US.
- Show both the structure of the molecule (as well as the atomic displacements of the different vibrational normal modes) and the vibrational spectra.
- Mix the different vibrational spectra on the same graph.
- Display the different mode contributions to a peak and click on one of them to view the corresponding normal mode.
- ACP, GCM, perform and analyze localized modes.
- Present the IR vector and the AAT vector.
- Present the normal mode derivative of $\alpha$, G' and A via an ellipsoid representation.
Citation
If you use DrawVib for your scientific work, please cite the DrawVib program in your articles:
"DrawVib, Vincent LIEGEOIS, UNamur, www.unamur.be/drawvib"
All articles that cite DrawSpectrum will be listed on this page.
Get DrawVib
This application is available exclusively on mac from macOS 10.15 Catalina on the mac App Store.