Tools to calculate simple properties, such as geometry, for models

Calculate Panel

Measure Group

Measure Group

Distance

Measure distances between atoms by clicking on each atom in sequence. The corresponding atom IDs and distance are printed to the messages, and a geometry label created in the model. If the model is periodic and minimum image calculation is necessary then both the minimum image distance and 'literal' coordinate distances are printed). Long-pressing exposes options to calculate bound distances between all atoms in the current selection.

Angle

Measure angles between atoms by clicking on each atom of the angle in sequence. The corresponding atom IDs and angle are printed to the messages, and a geometry label created in the model. Long-pressing exposes options to calculate bound angles between all atoms in the current selection.

Torsion

Measure torsion angles between atoms by clicking on each atom of the torsion in sequence. The corresponding atom IDs and angle are printed to the messages, and a geometry label created in the model. Long-pressing exposes options to calculate torsion angles between all atoms in the current selection.

List All

Lists all the measurements in the current model, printing them to the Messages display.

Clear

Clear all measurements in the current model