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mojaie / MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics
MIT License
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Integrating MolecularGraph.jl with Gtk #65

Closed Leticia-maria closed 2 years ago

Leticia-maria commented 2 years ago

Hello, I have written a code merging Gtk and MolecularGraph, creating a Graphical Interface to show the molecules. What do you think about implement it on this repository?

mojaie commented 2 years ago

I'm sorry for the late response. Gtk integration seems to be great!

Here is structure drawing interface modules https://github.com/mojaie/MolecularGraph.jl/tree/master/src/draw

draw2d.jl is the interface, and svg.jl is an example of draw module implementation.

RDKit implementation of Cairo canvas would be helpful. https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/rdkit/Chem/Draw/cairoCanvas.py

mojaie commented 2 years ago

FYI: If you need just interactive drawing and rendering, Qt is also an option. https://github.com/barche/QML.jl I might have written Qt canvas for molecular drawing a long time ago. I would dig it up.