Wednesday, February 25, 2009

Vibrational analysis widget for MeTA Studio

Many had asked about the support for visualizing frequency data from GAMESS/ Gaussian output in MeTA Studio. The short answer was: not out of box.

The long story: you and write a widget, and well good thing is that I myself wrote it ;) You can get the widget here [freqViewWidget.bsh].

To use this widget:
- make sure you have the latest version (2.0.24022009) or higher
- download the above script
- use the Add/Remove Widget button on the Widgets panel to install the widget
- Optionally open it in code editor (in meta studio) and click on "Make Widget" button
- the widget should appear in the Widgets panel.

- next open a molecule file as usual in meta studio
- then click on select molecule in widget, select the molecule with freq data
- then i guess its pretty straight forward ;)

So how does it look?

And I guess the graph (generated from jfreechart API which are shipped with MeTA Studio), looks pretty too .. try it out and let me know!

Have fun!

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