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    openchemlib
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    7.4.3 • Public • Published

    OpenChemLib JS

    NPM version build status npm download DOI

    JavaScript port of the OpenChemLib Java library.

    Installation

    npm install openchemlib

    Documentation

    This library is available in three different builds: minimal, core and full. Each larger build contains all functionalities from the smaller ones.

    The core build is the one that you get when you require('openchemlib'). It contains all functionalities that can be used in Node.js.

    The minimal (require('openchemlib/minimal')) build is a smaller one (~ half the size of core) that is meant to be used in a browser application if bundle size matters and prediction functionalities are not needed.

    The full build (require('openchemlib/full')) build is the largest build. It contains a structure viewer and a structure editor for browser applications.

    Modules present in minimal, core and full builds

    Modules present only in core and full builds

    Modules present only in full build

    Development

    To build this project, you need :

    Install dependencies

    npm install

    Configure directories

    Copy config.default.json to config.json and put the path to the GWT classes on your computer.
    If you want to use a custom JDK installation, set the "jdk" key to be the path to your JDK directory.

    npm scripts

    To run one of the scripts, use npm run <scriptName>.
    To pass an options, use npm run <scriptName> -- --option.

    Options:

    • -m [name]: only process module "name"
    • -v: verbose output

    compile:min / compile:pretty

    Execute the GWT compiler.

    export

    Transform the GWT compiled files to JavaScript modules.

    build:min / build:pretty

    Compile and export.

    copy:openchemlib

    Copy the required java files from the openchemlib project.

    License

    BSD-3-Clause

    Install

    npm i openchemlib

    DownloadsWeekly Downloads

    2,523

    Version

    7.4.3

    License

    BSD-3-Clause

    Unpacked Size

    10.5 MB

    Total Files

    14

    Last publish

    Collaborators

    • targos
    • lpatiny
    • cheminfo-bot
    • stropitek