# ketcher

**Repository Path**: xugitee2021/ketcher

## Basic Information

- **Project Name**: ketcher
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: Apache-2.0
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-12-15
- **Last Updated**: 2024-07-10

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# Ketcher [![npm version](https://img.shields.io/npm/v/ketcher-react)](https://www.npmjs.com/package/ketcher-react) [![Downloads](https://img.shields.io/npm/dm/ketcher-react)](https://www.npmjs.com/package/ketcher-react) [![License](https://img.shields.io/badge/License-Apache%202.0-blue.svg)](https://opensource.org/licenses/Apache-2.0)

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
- :diamond_shape_with_a_dot_inside: 3D structure visualization
- :memo: Template library (including custom and user's templates)
- 🔩 Add atom and bond basic properties and query features, add aliases and Generic groups
- :cyclone: Stereochemistry support during editing, loading, and saving chemical structures
- :loop: Storing history of actions, with the ability to rollback to previous state
- :floppy_disk: 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
- :microscope: Zoom in/out, hotkeys, cut/copy/paste
- :crystal_ball: OCR - ability to recognize structures at pictures (image files) and reproduce them
- :clipboard: Copy and paste between different chemical editors
- 🛠️ Settings support (Rendering, Displaying, Debugging)
- :camera: 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 library is delivered as a [react component library](https://www.npmjs.com/package/ketcher-react) and [zip archive](https://lifescience.opensource.epam.com/download/ketcher.html)

```
npm install ketcher-standalone
```

```tsx
import { StandaloneStructServiceProvider } from 'ketcher-standalone'

const structServiceProvider = new StandaloneStructServiceProvider()

const MyComponent = () => {
  return (
    <Editor
      staticResourcesUrl={process.env.PUBLIC_URL}
      structServiceProvider={structServiceProvider}
    />
  )
```


## FAQ

### How to use react component library

Look at the following [link](packages/ketcher-react/README.md) for details.

### Configure indigo service

You can find the instruction for service installation
[here](http://lifescience.opensource.epam.com/indigo/service/index.html).


## Packages

| Project | Status | Description |
|---------|--------|-------------|
| [ketcher-core](https://github.com/epam/ketcher/tree/master/packages/ketcher-core)          | [![npm version](https://badge.fury.io/js/ketcher-core.svg)](https://www.npmjs.com/package/ketcher-core) | Core functionality: domain, shared services, functions and interface declarations |
| [ketcher-standalone](https://github.com/epam/ketcher/tree/master/packages/ketcher-standalone) | [![npm version](https://badge.fury.io/js/ketcher-standalone.svg)](https://www.npmjs.com/package/ketcher-standalone) | Contains only the functionality necessary to start Ketcher in standalone mode |
| [ketcher-react](https://github.com/epam/ketcher/tree/master/packages/ketcher-react)          | [![npm version](https://badge.fury.io/js/ketcher-react.svg)](https://www.npmjs.com/package/ketcher-react) | Package contains only the functionality necessary to define components.  |



## 3D Viewer

Ketcher uses Miew for viewing and editing data in 3D.
You can find the latest version of viewer [here](https://github.com/epam/miew).
The last checked version - [0.9.0](https://github.com/epam/miew/releases/tag/v0.9.0).


## Contribution

See [Contributing Guide](./DEVNOTES.md).


## License

[Apache 2.0](LICENSE)

Please read [LICENSE](LICENSE) and [NOTICE](NOTICE) for details.

Copyright (c) 2021 [EPAM Systems, Inc.](https://www.epam.com/)