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molecula-js

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molecula-js

Usefull tools for molecula draw, description and algorithms

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npmnpm
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0.0.4
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molecula-js

molecula-js provide moleculas informations and operations.
You can work with our smiles database or provide your own smile code.

Feel free to contribute.

Install

Install using your favorite package manager :

npm i --save molecula-js
or
yarn add molecula-js

Import the package in your js / ts file :

import { molecula, database } from "molecula-js";

React projects

Edit your "build" command from package.json like this :

"build": "react-scripts build && node ./node_modules/molecula-js/dist/scripts/react-install.js",
or "build": "node scripts/build.js && node ./node_modules/molecula-js/dist/scripts/react-install.js",

React exemple is available here : https://github.com/christophe77/molecula-js-react

Available commands

database.searchDatabase.byName.sync("ozo")
database.getDatabase.sync()
database.getDatabase.async().then(db => console.log(db))

molecula.getDraw.fromSmiles.async("[H]", 200, 200).then(svg => console.log(svg))
molecula.getDescription.fromSmiles.async("[H]").then(description => console.log(description))

Keywords

smiles

FAQs

Package last updated on 09 Dec 2021

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