batoms-api 0.2.0

Beautiful Atoms

batoms_api is a API for Beautiful Atoms package. Beautiful Atoms 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.
• File type: cif, xyz, cube, pdb, json, VASP-out and so on.
• Volumetric data (Isosurface)
• Animation
• High quality rendering: 3D models
• Free, Open Source: Easy to download and install.
• Cross-platform: (Linux, Windows, macOS)

Author

• Xing Wang xingwang1991@gmail.com

How to use

On command line:

batoms h2o.xyz -m '1'

Use python script:

from ase.build import molecule
from batoms_api import render

atoms = molecule('H2O')
# Windows
input = {'output': 'D:\\projects\\batoms\\figs\\h2o.png'}
# Linux
input = {'output': 'figs/h2o.png'}
render(atoms, render_input = input)

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