ryjmacdonell / gimbal

Properties and transformations of 3D molecular geometries
MIT License
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Added plane angle and plane torsional angle #18

Closed ryjmacdonell closed 7 years ago

ryjmacdonell commented 7 years ago

The angle between 2 planes of 3 atoms each makes up the plane angle. In the plane torsional angle, the component along the central bond (3rd and 4th indices) is projected out, e.g. to remove artifacts from pyramidalization.