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Color by value

Author: Stephen Todd

Description

This script reads in a series of energy values from a study table, sorts the energies, and colors the associated molecules by the energy. A collection document is created and the colored structures are overlayed in the collection document.

This script can be used, for example, to color the conformers from a conformational analysis calculation.

POV-ray rendered sample structure
Overlay of a systematic conformational analysis scan of
the interannular torsion angle in a liquid crystal molecule.
The red is highest energy and the white is lowest energy.

Modules: Materials Visualizer

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