Re: [ccp4bb] Protein models with Cofactors, metal clusters and heme

Hi Joel, Have you tried Alphafill: AlphaFold Filled (alphafill.eu) https://alphafill.eu/ AlphaFill: enriching AlphaFold models with ligands and cofactors Maarten L. Hekkelman, Ida de Vries, Robbie P. Joosten & Anastassis Perrakis Nature Methods volume 20, pages205–213

Re: [ccp4bb] Off topic - 3D models demonstrating drug binding to students

Hi Ed, The future is already here... and virtual reality is your friend. This is a field that will likely be revolutionized in the near future, and your students would get an advantage by being exposed to these new technologies. You could check the following:

Re: [ccp4bb] [EXTERNAL] [ccp4bb] outliers

Hi James, My initial thought is that a 3-sigma bond length deviation is significant. When we make an experiment and observe something that doesn’t correspond to what we expect, it could be an error, or it could be that we found the thread for a new discovery. If the experimental data supports