EPAM Ketcher projects
Copyright (c) 2018 EPAM Systems, Inc
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
- Draw and edit structures using major tools: Atom Tool, Bond Tool, and Template Tool
- Template library (including custom and user's templates)
- Add atom and bond basic properties and query features, add aliases and Generic groups
- Select, modify, and erase connected and unconnected atoms and bonds using Selection Tool, or using Shift key
- Simple Structure Clean up Tool (checks bonds length, angles and spatial arrangement of atoms) and Advanced Structure Clean up Tool (+ stereochemistry checking and structure layout)
- Aromatize/De-aromatize Tool
- Calculate CIP Descriptors Tool
- Structure Check Tool
- MW and Structure Parameters Calculate Tool
- 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
- 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
- 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
- Languages: JavaScript with third-party libraries
Build instructions
Please read DEVNOTES.md for details.