MolGFX
Semantic molecular visualization for Python, Rust, and WebGPU.
MolGFX renders a MolFrame structure as an interactive scene or a deterministic image. It is a rendering library: MolFrame reads structures and provides the selection language; MolGFX decides how they look.
Start with a real structure
The quickstart uses haemoglobin (PDB 4HHB), cartoon context, and a space-filling heme pocket.
Choose a path
Python quickstart
Load a structure, add representations, and save an image.
Representations
Choose cartoon, atoms and bonds, points, or surface.
Commands and sessions
Author repeatable edits, completion, undo, and persistence.
What MolGFX owns
- MolFrame: structure input, molecular selections, and bond inference.
- Rust engine: scenes, representations, appearance, interaction state, cameras and their controllers, rendering, picking, and the patch stream a host mirrors.
- Official
web/host: one npm SDK, DOM input, canvas lifecycle and notebook adapter. Python uses its exact built artifacts through AnyWidget.Sessionalone owns command truth. - Your application: where structures come from and every panel, caption, tour or workflow around the canvas. The host is not a Workbench and supplies no console, toolbar or file picker.
That division keeps the selection syntax consistent. Pass a MolFrame query object or its query text to a MolGFX target; consult the MolFrame documentation for the full query language.
Verification status
The documented ownership boundary is implemented: MolFrame owns structure identity and query evaluation, while MolGFX owns scene state, representations, interaction, rendering, and the patch stream. This page does not certify an end-to-end browser, notebook, or WebGPU run on any particular device.