@chemistry/molecule

Molecule data structure — load, manipulate, and export molecular data.

Installation

npm install @chemistry/molecule

Usage

import { Molecule, MoleculeDataFormat } from '@chemistry/molecule';

const mol = new Molecule();
mol.load(jnmolData, MoleculeDataFormat.jnmol);

const atomCount = mol.getAtomCount();
const bondCount = mol.getBondCount();

const svg = await mol.toSVG({ colorElements: true, fontSize: 14 });

toSVG returns an SVG string — no React or DOM required.

Features

• Molecule data structure with atoms and bonds
• JNMol format loading
• SVG export for 2D visualization
• Molecule state management via store
• Isomorphic — works in Node.js and browsers

License

MIT