Small wrapper around 3dmol.js and html2canvas for creating self-contained HTML files that display a 3D molecular representation

Dec 01, 2021 1 min read

Description

Small wrapper around 3dmol.js and html2canvas for creating self-contained HTML files that display a 3D molecular representation. Double clicking the molecular representations downloads a PNG of the canvas (i.e. of molecular representation in current orientation).

Usage

Generate SDF from SMILES string: python3 smiles2sdf.py "<SMILES string>"

Generate HTML from SDF file: python3 sdf2html.py <input.sdf>

Example HTML output can be found here.

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