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 Raphael as a backend, which means that SVG or VML (Vector Markup Language) is used for rendering, depending on the browser.

Automatic layout (clean up), AAM (atom-to-atom mapping) and (de)aromatization

Ketcher delegates these computationally intensive procedures to the Indigo toolkit on the server side.

Supported file formats

Ketcher can import and export Molfile/Rxnfile, as well as SMILES. Server is required to import a SMILES string, since layout is needed to obtain the coordinates.

Other features

Fast and convenient editing. We strive to make Ketcher as easy to use and as fast as the state-of-the-art desktop structure editing tools. See Editing Tips for details. Here are some highlights:

  • Lasso and Rectangle selection tools, plus a special Fragment selection tool to deal with connected components, rather than single atoms/bonds.
  • A variety of hotkeys.
  • Undo/Redo.

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

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.

R-groups. R-site and R-fragment assignment is supported, as well as attachment point specification and R-logic.

Supported browsers

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

  • Internet Explorer 6+
  • Firefox 3.5+
  • Safari 4+
  • Opera 9.6+
  • Chrome 2+

Third-party code

Ketcher makes use of Raphael and Prototype.

The current icon set was taken from Tango Desktop Project

Online Demo

You can try Ketcher here or a web page with embedded Ketcher here.

Download

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

License

Copyright © 2010-2013 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/.

Feedback

Do you need assistance using our tools? Do you need a feature? Do you want to send a patch to us? Did you find a bug? Please write to one of the following newsgroups and let us know:

No registration is required: you can write from your ordinary e-mail account to indigo-bugs@googlegroups.com, indigo-dev@googlegroups.com, or indigo-general@googlegroups.com to get your message posted.

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:

  • Receive ongoing support and maintenance
  • Include Ketcher as a component in your proprietary software product