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".

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

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

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