Vibeplot presents a new and attractive way to visualize vibrational analysis from density functional calculations (DFT) in two dimensions. It is especially targeted at the chemists. The interface can either be scripted or used interactively with QVibeplot. The idea is to display normal coordinates (converted displacements of the atoms within the molecule) in terms of changes of the internal coordinates.
In any case, the phase is indicated by the color of the marker, the same color indicates the same direction for the change.
QVibePlot is the graphical user interface (GUI) to interact with the vibeplot application programming interface (API).
Molecules from the free OrbiMol database are provided as a quick starter. They are found in the “File”, “OrbiMol DB molecules” menu of the program.
No installation is necessary for QVibePlot.
Download the latest Windows release from sourceforge, unzip the archive in an empty directory and run QVibePlot.exe from there.
Download the source from sourceforge or clone the git repository
and run python setup.py install from the root directory.
That will install both QVibePlot and the vibeplot module.
To support vibeplot, please cite the publication from the Journal of Chemical Education [laurin2013].
|[laurin2013]||Laurin, M. QVibeplot: A Program To Visualize Molecular Vibrations in Two Dimensions. J. Chem. Educ. 2013, DOI: 10.1021/ed300554z|