Visualize Normal Modes in Jupter Notebook

Simple helper function to visualize molden files containing normal modes using 3Dmol.js and psi4.

Installation

pip install py3Dmol

How to use

You can generate the normal modes e.g using psi4

psi4 hooh.dat

psi4 writes a molden formatted file with the normal modes if the setting write_normal_modes is true.