Difference between revisions of "CavitOmiX"
Jump to navigation
Jump to search
(Added Test and Info) |
(Added screenshot) |
||
| Line 32: | Line 32: | ||
| − | [[File:.png|500px|thumb|center|CavitOmiX PyMOL plugin in cooperation with NVIDIA BioNeMo ]] | + | [[File:CavitOmiX-action1.png|500px|thumb|center|CavitOmiX PyMOL plugin in cooperation with NVIDIA BioNeMo ]] |
==References & Information== | ==References & Information== | ||
Revision as of 08:28, 23 December 2022
| 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 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.
- 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
