DrawVib
macOS / Education
DrawVib is a powerful graphical interface to visualise and analyze the vibrational spectra together with the atomic displacements of the vibrational normal modes calculated by a quantum chemistry program.
CITATION
If you use DrawVib for your scientific work, please site DrawVib program in your papers:
DrawVib, Vincent LIEGEOIS, UNamur, www.unamur.be/drawvib
All papers that cite DrawVib will be listed on the website
FUNCTIONALITIES
With DrawVib, you can:
A) Analyze one particular QM result calculated by Gaussian, Gamess US.
B) Show both the structure of the molecule (as well as the atomic displacements of the different vibrational normal modes) and the vibrational spectra.
C) Mix between the different vibrational spectra on the same graph.
D) Show the different mode contributions to a peak and click on one of them to visualize the corresponding normal mode.
E) ACPs, GCMs, perform and analyze the localized modes.
F) Represent the IR vector and the AAT vector.
G) Represent the normal mode derivative of $\alpha$, G’ and A via an ellipsoid representation.
CONTACT AND HELP
If you have any issue, please send an e-mail at drawmol@unamur.be
Quoi de neuf dans la dernière version ?
- Fix a wrong assignment of spectra type due to issue when reading units associated to y axis
