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

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

Related tags

Overview

Mol Viewer

Installation

Usage

Owner

Benoît BAILLIF

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