Working with ChemDraw JS

https://github.com/composarc/chem-js/wiki/_new

https://www.rdkit.org/docs/source/rdkit.Chem.Draw.html#module-rdkit.Chem.Draw

Working

with ChemDraw JS

ChemDraw JS is a library for working with chemical structures. Its features include drawing chemical structures and reactions and converting names to structures and structures to names. It also supports hotkeys and shortcuts, structure templates, and structure query tools.

Notable users of ChemDraw JS include ChemDraw Cloud, Signals Notebook Individual Edition, Lead Discovery, and PerkinElmer Signals Lead Discovery.

A demo site (also see archived version) showcases the features of the library.

Using ChemDraw JS To use ChemDraw JS in your app, you need a license file. You can get the license file by contacting PerkinElmer.

Load the ChemDraw JS script:

<script src="https://chemdrawdirect.perkinelmer.cloud/js/chemdrawweb/chemdrawweb.js"></script>

This script loads the perkinelmer object into the window which is used to create a ChemDraw JS instance:

window.perkinelmer.ChemdrawwebManager.attach({ license: '<?xml version="1.0" encoding="UTF-8" standalone="no"?><License ...', element: document.getElementById("chemdraw-mounting-point"), callback: (chemdraw) => { // Use the chemdraw instance here, call APIs, etc. }, errorCallback: (error) => { // ... }, });

In the callback callback, use the chemdraw to load an example CDXML:

const dimethylamineCdxml =

;

chemdraw.loadCDXML(dimethylamineCdxml);`

ChemDraw JS resources

ChemDraw JS User Guide

ChemDraw JS Developer's Guide

ChemDraw JS API Reference

See also Awesome ChemDraw - A curated list of awesome ChemDraw resources, tutorials, and more. Structural Formula Viewer - View structural formulas of chemical compounds. RDKit WASM - Running RDKit in the browser with WebAssembly. Awesome cheminformatics - A curated list of awesome cheminformatics resources. Cheminformatics Crossword - A daily crossword puzzle for cheminformatics terms. Organic chemistry pronunciation guide - A pronunciation guide for organic chemistry terms. IUPAC Multiplicative Prefix Generator - Generate IUPAC multiplicative prefixes for naming chemical compounds. IUPAC to Structure - Convert IUPAC names to 2D structures. Canonical SMILES Generator - Convert a SMILES string to its canonical (kekulized) form. SMILES Parse Tree Viewer - Visualize the parse tree of a SMILES string. SMILES to Structure - Convert SMILES (simplified molecular-input line-entry system) to a structure online. SMILES to Structure API - A web service for converting SMILES (simplified molecular-input line-entry system) to MOL. Awesome SMILES - A curated list of awesome resources on SMILES (simplified molecular-input line-entry system). SMILES to IUPAC - Convert SMILES to IUPAC name online. IUPAC to SMILES - Convert IUPAC names to SMILES strings. SMILES to InChI - Convert SMILES to InChI string online. InChIKey to SMILES - An online tool for converting (resolving) InChIKeys to SMILES strings. 3D Mol Viewer - View molecular models in 3D. Mol Editor - An online editor for Mol files. Molecule of the Day - Discover a new molecule every day. Chemical kerning - Improving the appearance of chemical structures by carefully adjusting the spacing between atoms and bonds. Periodic Table - View the periodic table of the elements. Supramolecular chemistry pronunciation guide - A pronunciation guide for terms in supramolecular chemistry. Chemical elements pronunciation guide - A pronunciation guide for chemical elements. Big Chemical Structures - A book of chemical structures presented in a big format. Big Chemical Elements - A book of chemical elements presented in a big format. Biochemistry pronunciation guide - A pronunciation guide for biochemistry terms.