IR spectra dialogue

Feature Requests item #2891022, was opened at 2009-11-02 18:47
Message generated for change (Tracker Item Submitted) made by jbaltrus
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Category: Commands / Extensions
Group: v 1.0.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: jbaltrus (jbaltrus)
Assigned to: Nobody/Anonymous (nobody)
Summary: IR spectra dialogue

Initial Comment:
Very nice features added to the spectra. I was going to ask, if it is possible to do click and drag zoom onto the spectra region of interest in the plotted spectra or select and plot region of interest on the x axis in the first place. Also, display calculated bars together with the broadened spectra. Reverse scale would be helpful, too.

Also, Turbomole does not always write IR data into the control file but rather always produces aoforce.out file (see attached). Would be nice to have spectra from it visualized

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