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
โก๏ธ Fast 2D structure representation that satisfies common chemical drawing standards๐ 3D structure visualization๐ Template library (including custom and user's templates)๐ฉ Add atom and bond basic properties and query features, add aliases and Generic groups๐ Stereochemistry support during editing, loading, and saving chemical structuresโฟ Storing history of actions, with the ability to rollback to previous state๐พ Ability to load and save structures and reactions in MDL Molfile or RXN file format, InChI String, ChemAxon Extended SMILES, ChemAxon Extended CML file formats๐ฌ Zoom in/out, hotkeys, cut/copy/paste๐ฎ OCR - ability to recognize structures at pictures (image files) and reproduce them๐ Copy and paste between different chemical editors๐ ๏ธ Settings support (Rendering, Displaying, Debugging)๐ท 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.
Contribution
See Contributing Guide.
License
Please read LICENSE and NOTICE for details.
Copyright (c) 2021 EPAM Systems, Inc.