molsketch-cljs

A 2D molecular structure drawing environment in Clojurescript.

Setup

You will need Java and Leiningen installed. To run molsketch-cljs:

git clone https://github.com/hessammehr/molsketch-cljs
cd molsketch-cljs
lein fig:build

This will automatically launch a browser tab at http://localhost:9500.

Keybindings

While hovering on a bond:

• del: Delete bond
• 1, 2, 3: Make bond single, double, or triple

While hovering on an atom:

• 0: Sprout a new atom
• 3, 4, 5, 6: Graft a cyclopropyl, cyclobutyl, cyclopentyl, or cyclohexyl ring at atom.
• C, N, O, S, P: Change atom element to C, N, etc.

REPL fun

Figwheel gives you a live REPL that you can use to mess around:

(require '[molsketch-cljs.core :as c])
(require '[molsketch-cljs.fragment.xformations :as x])
; Sprout an atom at node #1 (doesn't change the state)
(x/sprout-bond @(:canvas c/app-state) 1)
; Commit the change. The new atom will show up in your browser now.
(reset! (:canvas c/app-state) *1)

Pull requests are welcome! I have a few ideas listed below.

Todo

• Multiple bonds
• Custom atom labels
• Keeping track of implicit hydrogens
• Copy vector graphics to clipboard
• Read/write popular chemical structure formats
• Style support

License

Copyright © 2015-2020 S. Hessam M. Mehr

MIT License