Ketcher 
Ketcher is an open-source web-based chemical structure editor incorporating high performance, good portability, light weight, and ability to easily integrate into a custom web-application. Ketcher is designed for chemists, laboratory scientists and technicians who draw structures and reactions.
Key Features
⚡️ Fast 2D structure representation that satisfies common chemical drawing standards💠 3D structure visualization📝 Template library (including custom and user's templates)🔩 Add atom and bond basic properties and query features, add aliases and Generic groups🌀 Stereochemistry support during editing, loading, and saving chemical structures➿ Storing history of actions, with the ability to rollback to previous state💾 Ability to load and save structures and reactions in MDL Molfile or RXN file format, InChI String, ChemAxon Extended SMILES, ChemAxon Extended CML file formats🔬 Zoom in/out, hotkeys, cut/copy/paste🔮 OCR - ability to recognize structures at pictures (image files) and reproduce them📋 Copy and paste between different chemical editors🛠️ Settings support (Rendering, Displaying, Debugging)📷 Use of SVG to achieve best quality in-browser chemical structure rendering
Editor builtin tools:
- Atom Tool, Bond Tool, and Template Tool to draw and edit structures
- Aromatize/De-aromatize Tool
- Calculate CIP Descriptors Tool
- Structure Check Tool
- MW and Structure Parameters Calculate Tool
- Select, modify, and erase connected and unconnected atoms and bonds using Selection Tool, or using Shift key
- Advanced Structure Clean up Tool (+ stereochemistry checking and structure layout)
- Simple Structure Clean up Tool (checks bonds length, angles and spatial arrangement of atoms)
- Easy to use R-Group and S-Group tools (Generic, Multiple group, SRU polymer, peratom, Data S-Group)
- Reaction Tool (reaction generating, manual and automatic atom-to-atom mapping)
- Flip/Rotate Tool
Installation and usage
At this moment Ketcher can be embedded into your application in two ways:
- as a react component library
- as ready-to-run application (to find desired version please look at Assets block of releases). The application can be injected as IFrame or a separate page.
FAQ
How to use react component library
Look at the following link for details.
Configure indigo service
You can find the instruction for service installation here.
Packages
| Project | Status | Description |
|---|---|---|
| ketcher-core |  |
Core functionality: domain, shared services, functions and interface declarations |
| ketcher-standalone |  |
Contains only the functionality necessary to start Ketcher in standalone mode |
| ketcher-react |  |
Package contains only the functionality necessary to define components. |
3D Viewer
Ketcher uses Miew-React for viewing and editing data in 3D.
You can find the latest version of Miew-React here. The last checked version - 1.0.0.
Settings
You can add extra configuration in editor.setSetting
Allowed parameters:
- disableQueryElements: Disable the elements from the Extended Table
ketcher.setSettings({ "disableQueryElements": ["Pol", "CYH", "CXH"] })- general.dearomatize-on-load: Dearomatize the molecule when ketcher application starts
ketcher.setSettings({ "general.dearomatize-on-load": true })- ignoreChiralFlag: Ignore the chiral flag from .mol files
ketcher.setSettings({ "ignoreChiralFlag": true })Contribution
See Contributing Guide.
License
Please read LICENSE and NOTICE for details.
Copyright (c) 2021 EPAM Systems, Inc.