npm install openchemlib
This library is available in three different builds:
Each larger build contains all functionalities from the smaller ones.
core build is the one that you get when you
contains all functionalities that can be used in Node.js.
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.
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
To build this project, you need :
- Java JDK >= 8
- GWT 2.9 (Download build here)
- Node.js (link)
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.
- -m [name]: only process module "name"
- -v: verbose output
compile:min / compile:pretty
Execute the GWT compiler.
build:min / build:pretty
Compile and export.
Copy the required java files from the openchemlib project.