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Sciences","url":"http://lifescience.opensource.epam.com"},"bugs":{"url":"https://github.com/aelgasser/ketcher/issues"},"license":"Apache-2.0","readme":"[![Netlify Status](https://api.netlify.com/api/v1/badges/491bc452-756e-4494-b617-80d828244c11/deploy-status)](https://app.netlify.com/sites/react-ketcher/deploys)\n\n# EPAM Ketcher projects\nCopyright (c) 2018 EPAM Systems, Inc\n\nKetcher 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.\n\n## KEY FEATURES\n* Fast 2D structure representation that satisfies common chemical drawing standards\n* 3D structure visualization\n* Draw and edit structures using major tools: Atom Tool, Bond Tool, and Template Tool\n* Template library (including custom and user's templates)\n* Add atom and bond basic properties and query features, add aliases and Generic groups\n* Select, modify, and erase connected and unconnected atoms and bonds using Selection Tool, or using Shift key\n* 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) \n* Aromatize/De-aromatize Tool\n* Calculate CIP Descriptors Tool\n* Structure Check Tool\n* MW and Structure Parameters Calculate Tool \n* Stereochemistry support during editing, loading, and saving chemical structures\n* Storing history of actions, with the ability to rollback to previous state\n* 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\n* Easy to use R-Group and S-Group tools (Generic, Multiple group, SRU polymer, peratom, Data S-Group) \n* Reaction Tool (reaction generating, manual and automatic atom-to-atom mapping) \n* Flip/Rotate Tool\n* Zoom in/out, hotkeys, cut/copy/paste\n* OCR - ability to recognize structures at pictures (image files) and reproduce them\n* Copy and paste between different chemical editors\n* Settings support (Rendering, Displaying, Debugging)\n* Use of SVG to achieve best quality in-browser chemical structure rendering\n* Languages: JavaScript with third-party libraries\n\n## Build instructions\nPlease read [DEVNOTES.md](DEVNOTES.md) for details.\n\n## Run instructions\n\n* Launch Indigo Service with \n`docker run --restart=always -d -p 8002:8002 -e \"INDIGO_UWSGI_RUN_PARAMETERS=--plugin python3 --py-autoreload=1\" -e \"PYTHONPATH=/srv/indigo-python\" -e \"PYTHONDONTWRITEBYTECODE=1\" --name=indigo_service epmlsop/indigo_service:latest /bin/sh -c \"supervisord -n\"`\n* `npm run start`\n* Open browser on http://localhost:9966/?api_path=https://lifescience.opensource.epam.com/v2/ (check actual port in the terminal)\n\n\n## License\nPlease read [LICENSE](LICENSE) and [NOTICE](NOTICE) for details.\n","readmeFilename":"README.md"}