A molstar-based molecular viewer for the MoleculeKit package

by React

MolKitStar

A molstar-based viewer for moleculekit.

The default molstar viewer app is packaged as an electron application which is built into an AppImage for easy distribution. The repository is based on the electron-react-boilerplate project.

Main modifications include:

  1. src/main/main.ts which is the electron main process now also starts a REST API webserver on port 8090 to accept molecular data for visualization from other processes
  2. The molecular data is passed from the electron main process to the renderer process via IPC over the load-molecule channel
  3. In the renderer process we implement the src/renderer/3dViewer folder and especially the showTraj.ts module which has all the functions for loading and listing all loaded molecules
  4. The renderer process regularly reports currently loaded molecules back to the main process via the get-molecules channel which are then stored in the moleculeList variable

Installation

You can install the viewer with:

conda install molkitstar -c acellera

Running in debug mode

To start a local test server use:

npm start

Packaging

Packaging is done automatically over github actions and released to anaconda https://anaconda.org/acellera/molkitstar. To create a new release use:

make release version=0.1.1

If you want to try packaging locally it can be done via

npm run package

which will generate an AppImage file in the release/build folder.

GitHub

View Github