forked from enviPath/enviPy
36 lines
2.1 KiB
Markdown
36 lines
2.1 KiB
Markdown
# EPAM Ketcher projects
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Copyright (c) 2017 EPAM Systems, Inc
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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.
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## KEY FEATURES
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* Fast 2D structure representation that satisfies common chemical drawing standards
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* 3D structure visualization
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* Draw and edit structures using major tools: Atom Tool, Bond Tool, and Template Tool
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* Template library (including custom and user's templates)
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* Add atom and bond basic properties and query features, add aliases and Generic groups
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* Select, modify, and erase connected and unconnected atoms and bonds using Selection Tool, or using Shift key
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* 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)
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* Aromatize/De-aromatize Tool
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* Calculate CIP Descriptors Tool
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* Structure Check Tool
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* MW and Structure Parameters Calculate Tool
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* Stereochemistry support during editing, loading, and saving chemical structures
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* Storing history of actions, with the ability to rollback to previous state
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* 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
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* Easy to use R-Group and S-Group tools (Generic, Multiple group, SRU polymer, peratom, Data S-Group)
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* Reaction Tool (reaction generating, manual and automatic atom-to-atom mapping)
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* Flip/Rotate Tool
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* Zoom in/out, hotkeys, cut/copy/paste
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* OCR - ability to recognize structures at pictures (image files) and reproduce them
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* Copy and paste between different chemical editors
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* Settings support (Rendering, Displaying, Debugging)
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* Use of SVG to achieve best quality in-browser chemical structure rendering
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* Languages: JavaScript with third-party libraries
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## Build instructions
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Please read [DEVNOTES.md](DEVNOTES.md) for details.
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## License
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Please read [LICENSE](LICENSE) and [NOTICE](NOTICE) for details.
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