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Type PyMOL Plugin
Author(s) Georg Steinkellner, Christian C. Gruber, Karl Gruber*, and the Innophore Team

CavitOmiX 1.0

CavitOmiX plugin for Schrodinger’s PyMOL, a nifty tool that allows you to analyze protein cavities from any input structure. You can now dive deep into your proteins, cavities, and binding sites using crystal structures and state-of-the-art AI models from OpenFold (powered by NVIDIA’s BioNeMo service), DeepMind`s AlphaFold and ESMFold by Meta. Even more exciting: just enter any protein sequence and you will get the structure predicted by OpenFold or ESMFold loaded into your PyMOL within seconds.


  • Catalophore™ Cavities can be calculated for molecules loaded in PyMOL
  • Predict protein structures within seconds for any protein sequence using OpenFold by NVIDIA BioNeMo (coming soon!) and ESMFold by Meta
  • AlphaFold models can be retrieved via UniProt ID
  • Analyze the hydrophobicity of your Catalophore™ cavities
  • Protein structures can be retrieved from the PDB using the PDB code
  • Mix and match all the above in a single entry, align the structures and get a quick overview
  • Catalophore™ cavity calculation settings can be changed
  • Each Catalophore™ cavity is an "residue" entry and each cavity point is an "atom", so you can select, remove, copy, represent cavities to your liking!


CavitOmiX PyMOL plugin with BioNeMo by NVIDIA

References & Information

  1. Innophore GmbH
  2. NVIDIA BioNeMo
  3. ESMFold by Meta
  4. AlphaFold2