chrinide / beautiful-atoms

Python module for drawing and rendering beautiful atoms and molecules using Blender.

Beautiful Atoms

Batoms is a Python package for editing and rendering atoms and molecules objects using blender. A Python interface that allows for automating workflows.

Features:

• Model: space-filling, ball-stick, polyhedral, cavity and so on.
• Supported File type: cif, xyz, cube, pdb, json, VASP-out and so on.
• Supported structure: ASE and Pymatgen
• Volumetric data (Isosurface)
• Ribbon diagram for protein
• Site occupancy
• Animation
• GUI
• Support periodic boundary conditions
• Support fetch structures from MaterialProject, Pubchem and RSCB
• Flexible: Python script, run interactively or in background.
• High quality rendering: 3D models
• Free, Open Source: Easy to download and install.
• Cross-platform: (Linux, Windows, macOS)

How to use

Please vist: https://beautiful-atoms.readthedocs.io/en/latest/

How to contribute

Editor

We recommend using Visual Studio Code with the Blender extension.

Test

We recommend using pytest-blender. To run the tests, run:

pip install pytest-blender
blender_python="$(pytest-blender)"
$blender_python -m ensurepip
# Install the development dependencies:
$blender_python -m pip install -r test-requirements.txt
cd tests
pytest

Pre-commit

To install the pre-commit hooks, run:

$ pre-commit install

Contact

• Xing Wang [e-mail]