Chem.mol PixelArt

Powered by RDKit

Image to mol

• white area does not display mol

Demo

With pymol

Usage

pip

pip install rdkit pillow numpy

conda

conda install -c conda-forge rdkit

Structure

├─main.py  
├─input.png  
└─output.mol

Diy

space=4.0 # Intermolecular distance (Å, recommended 3.0-5.0)

img = img.resize((64, 64), Image.NEAREST) # 64x64

template = Chem.MolFromSmiles('C1CCC1') # cyclobutane

Run

python main.py