David,
I was fooling around with the orbital table last night and added in energies (where available from Open Babel).
I was thinking of swapping out “Status” for “Occupation” when the rendering is done, and showing a new column for “Symmetry” when done. The occupation would best be drawn a bit differently, maybe as a colored rectangle. (The Mac user in me is tempted to do this just because the status bars are rendered poorly by Qt.)
Sound OK?
-Geoff
Prof. Geoffrey Hutchison
Assistant Professor, Department of Chemistry
University of Pittsburgh
Office: (412) 648-0492