@yuhaosimba/molstar-reactive-bonds

Dynamic covalent bond extension for Mol* (molstar 5.6/5.7).

Install

npm i molstar @yuhaosimba/molstar-reactive-bonds

Usage

import { Viewer } from 'molstar/lib/apps/viewer/app';
import { registerReactiveBonds, addDynamicCovalentRepresentation } from '@yuhaosimba/molstar-reactive-bonds';

const viewer = await Viewer.create('app', { extensions: ['mvs'] });

registerReactiveBonds(viewer.plugin, { autoAttach: false });

// After structures are loaded
await addDynamicCovalentRepresentation(viewer.plugin, {
  includeHydrogens: true,
  includeInterUnit: true,
  distanceScale: 1.0,
  bondSizeFactor: 0.7,
});

Example Project Files

• Basic viewer integration example: examples/viewer-basic/
• Entry files:
  • examples/viewer-basic/index.html
  • examples/viewer-basic/main.ts

Exported API

• ReactiveBondsBehavior
• ReactiveBondsProvider
• DynamicCovalentRepresentationProvider
• registerReactiveBonds(plugin, options?)
• addDynamicCovalentRepresentation(plugin, options?)