https://github.com/bergos/smiles

OpenSMILES compatible parser and serializer
https://github.com/bergos/smiles

Last synced: about 2 months ago
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OpenSMILES compatible parser and serializer

• Host: GitHub
• URL: https://github.com/bergos/smiles
• Owner: bergos
• Created: 2016-04-02T09:30:53.000Z (almost 9 years ago)
• Default Branch: master
• Last Pushed: 2016-08-20T22:31:36.000Z (over 8 years ago)
• Last Synced: 2024-11-29T20:10:09.148Z (about 2 months ago)
• Language: JavaScript
• Size: 26.4 KB
• Stars: 2
• Watchers: 2
• Forks: 4
• Open Issues: 1
• Metadata Files:
  • Readme: README.md

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README

        
# smiles

OpenSMILES compatible parser and serializer

## Usage

    // load module

    var smiles = require('smiles')

    // parse a SMILES string, returns an array of SMILES tokens [{type: '...', value: '...'}, ...]

    var tokens = smiles.parse('IC(C=C1OC)=C(OC)C=C1CC(C)N')

    // serializes an array of SMILES tokens into a SMILES string

    var smilesString = smiles.serialize(tokens)