vscode-zndraw

Open supported files using ZnDraw and UV directly from VSCode.

Features

This extension will use the ZnDraw from your current environment. To get started, try creating a new project like

mkdir my-zndraw-project
cd my-zndraw-project
uv init
uv add zndraw

Then create a new file like

import molify
import ase.io

frames = molify.smiles2conformers("CCO", 10)
ase.io.write("ethanol.xyz", frames)

Run uv run main.py and then right click on the ethanol.xyz file in the VSCode explorer and select "Open with ZnDraw".

Configuration

You can configure the extension in your .vscode/settings.json:

{
  "zndraw.command": "zndraw",
  "zndraw.port": 5000,
  "zndraw.serverUrl": "",
  "zndraw.autoStart": false,
  "zndraw.extraArgs": []
}

Available Settings

Setting	Type	Default	Description
zndraw.command	string	zndraw	Command to run ZnDraw (e.g., uvx zndraw, uv run zndraw, zndraw)
zndraw.port	number	5000	Port for the local ZnDraw server
zndraw.serverUrl	string	""	Remote ZnDraw server URL (e.g., https://zndraw.icp.uni-stuttgart.de). Leave empty to use local server
zndraw.autoStart	boolean	false	Automatically start ZnDraw server when VS Code opens
zndraw.extraArgs	array	[]	Additional arguments to pass to ZnDraw

Testing the Extension

1. Open this project in VSCode
2. Press F5 to launch the Extension Development Host
3. A new VSCode window will open with the extension loaded
4. Open a supported file to test the extension functionality