Editing CavitOmiX

{{Infobox script-repo
|type = plugin
|download = https://innophore.com/cavitomix
|author = [https://www.linkedin.com/in/georg-steinkellner-81b2bbb9 Georg Steinkellner], [https://www.linkedin.com/in/christiancgruber Christian C. Gruber], [https://www.linkedin.com/in/karl-gruber-2a486135 Karl Gruber]*,  and the [https://www.linkedin.com/company/innophore Innophore Team]
|homepage = https://innophore.com
}}

[[File:Cavitomix.png|400px|center]]

==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.


[https://innophore.com/cavitomix CavitOmiX].
* Catalophore™ Cavities can be calculated for molecules loaded in PyMOL
* Predict protein structures within seconds for any protein sequence using [https://www.nvidia.com/en-us/gpu-cloud/bionemo OpenFold] by NVIDIA [https://www.nvidia.com/en-us/gpu-cloud/bionemo BioNeMo] (coming soon!) and [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold by Meta] 
* [https://www.deepmind.com/research/highlighted-research/alphafold AlphaFold] models can be retrieved via [https://www.uniprot.org/ UniProt ID]
* Analyze the hydrophobicity of your Catalophore™ cavities
* Protein structures can be retrieved from the [https://www.rcsb.org/ 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 [https://innophore.com Catalophore™ cavity] is an "residue" entry and each cavity point is an "atom", so you can select, remove, copy, represent cavities to your liking!   


==Overview==


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* 


[[File:cavitomix-plugin-V1.0_screenshot.png|600px|thumb|center|CavitOmiX PyMOL plugin with BioNeMo by NVIDIA]]

==References & Information==

# [https://innophore.com Innophore GmbH]
# [https://www.nvidia.com/en-us/gpu-cloud/bionemo NVIDIA BioNeMo] 
# [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold by Meta]
# [https://alphafold.ebi.ac.uk AlphaFold2]

[[Category:Surfaces and Voids|CavitOmiX]]
[[Category:Biochemical_Properties]]
[[Category:Modeling and Editing Structures]]
[[Category:Plugins]]
[[Category:Pymol-script-repo]]
[[Category:NVIDIA]]
[[Category:BioNeMo]]