Visualize a molecule and its conformations in Jupyter notebooks/lab using py3dmol

Last update: Feb 11, 2022

Overview

Mol Viewer

This is a simple package wrapping py3dmol for a single command visualization of a RDKit molecule and its conformations (embed as Conformer objects in the Molecule)

Installation

pip install molconfviewer

Usage

from molconfviewer import MolConfViewer
mol_conf_viewer = MolConfViewer() 
mol_conf_viewer.view(mol=mol) # where mol is a rdkit mol

See the MolConfViewer object code to customize the visualization. For more possibilities, please check py3dmol and 3dmol.js.

Owner

Benoît BAILLIF

PhD student in computational chemistry in Cambridge UK

GitHub Repository

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Visualize a molecule and its conformations in Jupyter notebooks/lab using py3dmol

Related tags

Overview

Mol Viewer

Installation

Usage

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Benoît BAILLIF

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