Molstar Lite

A lightweight Mol* 3D molecular structure viewer for VS Code.

Preview molecular structures directly in VS Code with a single click — just like Markdown preview, but for molecules.

Features

One-Click Preview — Click the molecule icon in the editor title bar to instantly visualize structures
Side-by-Side View — Preview opens beside your editor, keeping your code in view
Multi-Molecule Overlay — Add multiple structures to the same viewer for comparison
Multiple Tabs — Open several viewer panels simultaneously
Streamlined UI — Curated Mol* interface with only essential panels and controls
Keyboard Shortcut — Cmd+Shift+M / Ctrl+Shift+M for quick preview

Supported Formats

Format	Extension	Description
PDB	`.pdb`	Protein Data Bank
PDBQT	`.pdbqt`	AutoDock
PQR	`.pqr`	PDB with charge & radius
mmCIF	`.cif` `.mmcif`	Macromolecular CIF
GRO	`.gro`	GROMACS
MOL	`.mol`	MDL Molfile
MOL2	`.mol2`	Tripos Mol2
SDF	`.sdf`	Structure-Data File
XYZ	`.xyz`	XYZ chemical file

Getting Started

Install the extension from the VS Code Marketplace
Open any supported molecular file (e.g. .pdb, .cif, .mol2)
Click the molecule icon in the editor title bar — or press Cmd+Shift+M

Overlay Multiple Structures

Open a structure in the viewer
Right-click another file in the Explorer
Select Add to Mol Viewer

Commands

Command	Description	Shortcut
`Mol Viewer: Open Mol Viewer`	Open preview in current column	—
`Mol Viewer: Open Mol Viewer to the Side`	Open preview to the side	`Cmd+Shift+M`
`Mol Viewer: Add to Mol Viewer`	Overlay molecule on existing viewer	—

All commands are available via the Command Palette (Cmd+Shift+P / Ctrl+Shift+P), right-click context menus in Explorer and Editor, and the editor title bar icon.

Acknowledgments

License

MIT

Molstar Lite

Passion4ever

Molstar Lite

Features

Supported Formats

Getting Started

Overlay Multiple Structures

Commands

Acknowledgments

License