.
$ npm i openchemlib-utils
import OCL from 'openchemlib'; // version should be greater than 7.4
import { getPathsInfo, initOCL } from 'openchemlib-utils';
initOCL(OCL);
const molecule = OCL.Molecule.fromSmiles('CCCCC');
const paths = getPathsInfo(molecule, {
fromLabel: 'H',
toLabel: 'H',
minLength: 1,
maxLength: 4,
});
console.log(paths);We will add more examples in /examples.