Examples

This page lists a few examples of visualizations based on chemiscope. Rather than providing a demonstration of a scientifc application, as for the examples on the main page, these examples consist in short Python scripts that demonstrate how to make a chemiscope viewer file that uses some particular features (e.g. atom coloring or shape visualization).

You can find more usage examples, in combination with other atomistic simulation packages, in the chemiscope chapter of the atomistic cookbook.

Examples with .py_noci extension are too slow, or otherwise problematic so they are not run on the CI, but you can try them locally if they correspond to your needs.

Simple chemiscope input

Simple chemiscope input

Structure-property maps

Structure-property maps

Trajectory plotting

Trajectory plotting

Atom property coloring and labels

Atom property coloring and labels

Shape visualization

Shape visualization

Exploring dataset with chemiscope

Exploring dataset with chemiscope

Using metatomic models for dataset exploration

Using metatomic models for dataset exploration

Using stk structures and showing custom bonds

Using stk structures and showing custom bonds

Visualize biomolecules with MDAnalysis or chemfiles

Visualize biomolecules with MDAnalysis or chemfiles

Headless mode

Headless mode