Molecular visualization of a small molecule using Matplotlib
Biotite provides simple interactive molecular visualization via plot_atoms(). Although it does not produce publication-suitable images, this function can be a convenient tool for a quick visual …
python - rdkit: how to draw high resolution chemical structure
May 7, 2020 · # Render high resolution molecule. drawer = rdMolDraw2D.MolDraw2DSVG(width, height) drawer.DrawMolecule(mol) drawer.FinishDrawing() # Export to pdf. …
Adding molecules to matplotlib plots – RDKit blog - GitHub Pages
Jan 18, 2024 · Last week I wanted to generate plots of a bunch of spectra and include pictures of the corresponding molecules on the plots. This turned out to be pretty easy to do with the …
rdkit.Chem.Draw package — The RDKit 2025.03.1 documentation
Mar 1, 2025 · Generates a drawing of a molecule and writes it to a file rdkit.Chem.Draw.MolToImage(mol, size=(300, 300), kekulize=True, wedgeBonds=True, …
Visualizing molecules with RDKit and py3Dmol — andersle.no
Jul 18, 2022 · py3Dmol is a very useful widget for molecular visualization in jupyter. You can add visualizations like this one: directly in your jupyter notebooks with very little code. I find it …
Molecule Depiction — Toolkits -- Python
After creating a molecule (for example by parsing a SMILES string) the image can be generated by calling two functions. The OEPrepareDepiction function prepares the molecule for depiction.
How to develop a Python tool for visualizing molecular
Mar 13, 2024 · Learn to develop your own Python tool for visualizing molecular structures in Chemistry. Dive into coding instructions using key libraries like RDKit and matplotlib, perfect …
DrawMolToMPL: RDKit mol drawing with matplotlib - GitHub
DrawMolToMPL generates a drawing of rdkit.Chem.rdchem.Mol objects by matplotlib line graphics, and thus it can be saved as a vector image. I had a problem when I tried to output …
Visualizing molecular orbitals - andersle.no
Jul 21, 2022 · Calculating MOs is relatively straightforward with pyscf, and visualizing them can be done (directly in jupyter) with py3Dmol or fortecubeview. fortecubeview is easier to use (it has …
moleview · PyPI
Jun 17, 2021 · MoleView: A Fast and lightweight plug-in for 3D molecular visualization Molecule + Viewer = MoleView View your molecule anywhere and anytime! Installation pip install …
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