$ npm install --save mass-fragmentation
const { fragment } = require('mass-fragmentation');
const { Molecule } = require('openchemlib');
const molecule = Molecule.fromSmiles('CCCCC');
const fragments = fragment(molecule);
$ npm install --save mass-fragmentation
const { fragment } = require('mass-fragmentation');
const { Molecule } = require('openchemlib');
const molecule = Molecule.fromSmiles('CCCCC');
const fragments = fragment(molecule);
npm i mass-fragmentation
169
1.9.2
MIT
2.43 MB
27