@atdbio/cdxml v1.1.0

cdxml

A library for reading ChemDraw cdxml files and extracting very basic information

Installation

npm install @atdbio/cdxml --save

Usage

const { getMolecule, getElementCounts } = require('@atdbio/cdxml');
const fs = require('fs');

const xmlString = fs.readFileSync('./molecule.cdxml', { encoding: 'utf-8' });

const myMolecule = getMolecule(xmlString);
const elementCounts = getElementCounts(myMolecule); // get element counts

License

MIT