chempict

Create chemical pictures for the web.

Install

This is a javascript app that can be run in node and in the browser.

• To install it in node from npm: npm i chempict

• To import it in a webpage add a <script> tag your webpage:

Usage

It provides:

• a SMILES parser
• a coordinate generator
• a chemdoodle json writer

Dependencies

eslint: lint and fix javascript code clang-format: format js code

npm scripts

• lint javascript with eslint: npm run lint
• format javascript with clang-format: npm run format

TODO

• Validate jsdoc tags with eslint.
• Generate documentation with jsdoc.
• Implement vectorization with simd.js see also https://hacks.mozilla.org/2015/12/bringing-the-power-of-simd-js-to-gl-matrix/

Guidelines

• Depictions should try to follow Graphical representation standards for chemical structure diagrams (IUPAC Recommendations 2008).

Credits

This project is a fork of the kemia project, which is a reaction editor written in javascript and compiled using the google closure compiler.

The google closure library was used in kemia and some parts of it had been included as utils modules.

Webpack is used to bundle a umd js file for web and node usage.

npmcdn is used to distribute the library for web usage.

The chemdoodle writer is inspired by this blog post written by zach charlop-powers