A Python package for rendering cube files with VMD.
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VMDCube
Description
A simple pip-installable Python module to generate pretty 3D visualizations of molecular orbitals like this the one below:
VMDCube is designed to work with VMD (Visual Molecular Dynamics) and is compatible with the VMD cube file format. It can be used to visualize molecular orbitals, electron density, and other volumetric data.
Features
VMDCube can be used in Python scripts and Jupyter notebooks to render cube files. Here is an example of how to use it in Python:
from vmdcube import VMDCube
vmd = VMDCube() # by default render all cube files in the current directory
vmd.run()
The following showcases VMDCube's visualization capabilities in Jupyter notebooks:
Installation
Clone the repository, then run:
git clone git@github.com:fevangelista/VMDCube.git
cd VMDCube
pip install -e .
Tutorials
See the VMDCube introductory tutorial for how to use VMDCube in Jupyter notebooks.
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