Welcome to Beautiful Atoms’s documentation!

Beautiful Atoms is a Python package for editing and rendering atoms and molecules objects using Blender. A Python interface that allows for automating workflows.

>>> from batoms import Batoms
>>> h2o = Batoms('h2o', {'O': [[0, 0, 0.40]], 'H': [[0, -0.76, -0.2], [0, 0.76, -0.2]]})

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Features:

  • Model: space-filling, ball-stick, polyhedral, cavity and so on.

  • Support file: cif, xyz, cube, pdb, json, VASP-out and so on.

  • Support structure from ASE and Pymatgen

  • Volumetric data (Isosurface)

  • Animation

  • GUI

  • 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)