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Ketcher

Overview

Ketcher is a web-based chemical structure editor.

Since Ketcher is written in pure Javascript, it incorporates high performance, good portability and light weight. You will not need any Java or Flash plugins to use it in your browser. Ketcher is completely free and open-source, while also available on a commercial basis.

You can easily integrate Ketcher into your web application. The process of integration is very simple and well-documented.

Ketcher is under active development. You can post us your comments and suggestions and get timely replies from the developers' team.

Features

Standalone mode

Ketcher supports the standalone mode in which no server support is required. In this mode, SMILES loading, automatic layout and automatic atom-atom mapping are not available.

Scalable Vector Graphics (SVG) for rendering

Ketcher uses SVG to achieve the highest quality in-browser chemical structure rendering. SVG standard is supported by most modern browsers and provides smooth and light-weight drawing.

Note: Internet Explorer through version 8 does not support SVG. IE rendering is based on VML (Vector Markup Language) instead.

SMILES strings

SMILES is a compact format for chemical structure representation. Ketcher provides you with the ability to load and save structures in this useful format.

Automatic layout (clean up)

The server-side structure layout algorithm is developed on C++ as a part of the Indigo toolkit. It provides fast 2D structure representations that satisfy common chemical drawing standards.

Automatic AAM (atom-atom mapping)

The server-side algorithm for automatic reaction mapping is developed on C++ as a part of the Indigo toolkit. It provides fast atom-atom mapping with several options.

Other features

Hotkeys. For a more rapid and convenient way of structure drawing, Ketcher offers a variety of hot keys. See Editing Tips for the list of hot keys.

Stereochemistry. Ketcher provides complete stereochemistry support during the editing, loading, and saving of chemical structures.

Undo/Redo. Ketcher stores quite a long editing history.

In-place atom editing. Ketcher allows for the direct input of atom labels and charges. See Editing Tips for details.

Reactions. Full-featured reaction support including reacting centers, atom flags and AAM.

S-groups. All major S-group types are supported including generic, SRU polymers, multiple groups, superatoms and data S-groups.

Lasso tool. Fragment selection becomes more simple with the lasso tool.

Chain tool. Easy chain drawing.

Molfiles/Rxnfiles support. In addition to SMILES strings, Ketcher also supports Molfile/Rxnfile saving and loading.

Supported browsers

The complete functionality of Ketcher has been tested on the following browsers:

Third-party code

Ketcher rendering is based on a Raphaël JavaScript library. Other code improvements are made using Prototype.

The current icon set was taken from Tango Desktop Project

Online Demo

You can try Ketcher here.

Download

Look at the Downloads page for the installation package and a sample server implementation.

License

Copyright © 2010-2011 GGA Software Services LLC

This program is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, version 3 of the License.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Affero General Public License for more details.

You should have received a copy of the GNU Affero General Public License along with this program. If not, see http://www.gnu.org/licenses/.

Commercial Availability

If the AGPL-licensed Ketcher does not fit your needs, please contact us at info@ggasoftware.com to discuss the purchase of a commercial license. You may need the commercial license if you want to:

Copyright © 2009-2012 GGA Software Services LLC. All rights reserved.