Troubleshooting

Use this page to diagnose common issues when running moldenViz.

File Not Found

from moldenViz import Parser

try:
    Parser('missing-file.inp')
except FileNotFoundError:
    print('Molden file not found')

Invalid Molden Format

from moldenViz import Parser

try:
    Parser('invalid.inp')
except ValueError as exc:
    print(f'Invalid molden file: {exc}')

Grids With only_molecule=True

Tabulator cannot build grids when you skip molecular orbital data:

from moldenViz import Tabulator

tab = Tabulator('molden.inp', only_molecule=True)

try:
    tab.cartesian_grid(x, y, z)
except RuntimeError:
    print('Cannot create grids when only_molecule=True')

Configuration Errors

Invalid entries in ~/.config/moldenViz/config.toml raise ValueError the next time you import plotting classes:

from moldenViz import Plotter

try:
    Plotter('molden.inp')
except ValueError as exc:
    print(f'Configuration error: {exc}')
    print('Review your TOML configuration and try again')