IR spectrum

Data source: <module cmlx:templateRef='vibrations'>

This module will display JSpecView + JSmol plugins (using javascript libraries) working together to represent molecule IR spectrum.

All information will come from "$vibrational normal modes" and "$vibrational spectrum" sections inside Turbomole control file, in case they are defined on external files such as vib_normal_modes and vibspectrum we must copy them inside control file.

Example 66. IR spectrum - HTML example/s