Seeking library recommendation for 3D visualization of crystal structure

• pymol-open-source

  5 1,028 7.8 C

  Open-source foundation of the user-sponsored PyMOL molecular visualization system.

  

Maybe I’m misunderstanding your request, but why not just use pymol? You can make sessions entirely programmatically with python which you can then open in the GUI.

• pyvista

  1 2,353 9.8 Python

  3D plotting and mesh analysis through a streamlined interface for the Visualization Toolkit (VTK)

  

Two similar alternatives you could look at are PyVista which is based on the same framework as Mayavi and VisPy. Mayavi is strongly dependent on the whole Enthought suite which can be a disadvantage if you don’t really use its abilities.

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• VisPy

  4 3,217 8.6 Python

  Main repository for Vispy

  

Two similar alternatives you could look at are PyVista which is based on the same framework as Mayavi and VisPy. Mayavi is strongly dependent on the whole Enthought suite which can be a disadvantage if you don’t really use its abilities.

• awesome-python-chemistry

  2 1,026 4.9

  A curated list of Python packages related to chemistry

Also I'd take a look through https://github.com/lmmentel/awesome-python-chemistry because I have a hard time believing this isn't a "solved problem" where you just need to find the right existing library.

• 3Dmol.js

  1 754 9.2 Jupyter Notebook

  WebGL accelerated JavaScript molecular graphics library

  

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Suggest a related project