Command Line#

The moldenViz CLI offers a fast way to inspect Molden files and bundled examples. Run moldenViz -h for a full option list, and use the sections below for the most common workflows.

Basic Usage#

Render molecular orbitals from a Molden file:

moldenViz path/to/file.molden

Show only the molecular structure (skip orbital surfaces):

moldenViz path/to/file.molden -m

List the available commands and flags:

moldenViz -h

Bundled Examples#

Use one of the shipped example molecules when you just want to explore the plotting experience:

moldenViz -e co

Available examples:

  • co

  • o2

  • co2

  • h2o

  • benzene

  • prismane

  • pyridine

  • furan

  • acrolein

Tips#

  • Combine -e with -m to explore only the geometry of an example.

  • Use configuration overrides (see details) to change colors, bond lengths, or orbital contours before launching the CLI.