Re: [ccp4bb] CCP4 installer on Sequoia

2024-11-28 Thread Ville Uski - STFC UKRI
Hi Pat, The CCP4 suite, particularly ccp4sm, was tested on M1/2 + macOS 15. We ordered an M4 laptop several weeks ago and will soon be able to test it in M4 + macOS 15. Currently, the solution is to install CCP4 using a tar.gz file available from the CCP4 download page. Optional packages can be

Re: [ccp4bb] cryoEM molecular replacement

2024-11-28 Thread Randy John Read
Yes, I agree this is a good point. We had an example at a CCP-EM workshop where the participant’s map turned out to have the wrong hand. I’m embarrassed to say that it took Tristan Croll (sitting next to me) to notice that the helices were left-handed! Anyway, flipping the hand was quick and eas

Re: [ccp4bb] cryoEM molecular replacement

2024-11-28 Thread Guillaume Gaullier
Hello Johan and Natesh, There is more info about the terminology in this article: https://doi.org/10.1038/s41586-024-07215-4 In brief, yes, "Coulomb potential map" or "electrostatic potential map" is most correct (as far as I remember). But "cryoEM map" is widely accepted as a shortcut, and is

Re: [ccp4bb] cryoEM molecular replacement

2024-11-28 Thread Guillaume Gaullier
Hello Matthew, This is a very good point. With good maps one can tell if it’s the correct hand by visually inspecting the alpha-helices (or from features of the quaternary structure for some complexes), but sometimes it is more difficult. I don’t know how em_placement and emplace_local behave w

Re: [ccp4bb] cryoEM molecular replacement

2024-11-28 Thread Rigden, Dan
Hi all Slice'N'Dice is another option for this. It will take a structure eg an AF2 prediction, remove low-confidence portions, and split the remainder using a variety of algorithms, including based on the PAE where that is available. Originally developed for MR (https://www.biorxiv.org/conten