CavitOmiX

Type	PyMOL Plugin
Download	https://innophore.com/cavitomix
Author(s)	Georg Steinkellner, Christian C. Gruber, Karl Gruber*, and the Innophore Team
License
https://innophore.com

CavitOmiX 1.0

CavitOmiX plugin for Schrodinger’s (please tag) 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 (please tag) BioNeMo service), DeepMind`s (please tag) AlphaFold and ESMFold by Meta (please tag). 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.

CavitOmiX.

• Predict protein structures within seconds for any protein sequence using [OpenFold by NVIDIA BioNeMo] (coming soon!) and [ESMFold by Meta]
• [AlphaFold2] models can be retrieved via UniProt ID
• Cavities can be calculated for molecules loaded in PyMOL
• Analyze the hydrophobicity of your 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 an quick overview
• Cavity calculation setting scan be changed
• Each Cavity is an "residue" entry, each cavity point is an "atom", so you can select, remove, copy, represet cavities to your liking!

Overview

File:.png

CavitOmiX PyMOL plugin empowered by NVIDIA BioNeMo

References

1. Innophore GmbH
2. [NVIDIA BioNeMo]