openchemlib
Advanced tools
JavaScript port of the OpenChemLib Java library.
Maintained by Zakodium
npm install openchemlib
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.
To build this project, you need :
npm ci
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.
To run one of the scripts, use npm run <scriptName>.
To pass an options, use npm run <scriptName> -- --option.
Options:
Execute the GWT compiler.
Transform the GWT compiled files to JavaScript modules.
Compile and export.
Copy the required java files from the openchemlib project.
FAQs
Manipulate molecules
The npm package openchemlib receives a total of 2,958 weekly downloads. As such, openchemlib popularity was classified as popular.
We found that openchemlib demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 4 open source maintainers collaborating on the project.
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