Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Johan Hattne
Hi Natesh; I don't know that "density" is necessarily inappropriate: the map gives potential for each voxel, so potential per volume. I'd think that's a density. Unsure about "cryoEM density" though, but this may be a matter of how the phrase is delineated. I often look at green (and red)

[ccp4bb] CCP4 installer on Sequoia

2024-11-27 Thread Patrick Loll
Hi all, I’m encountering problems installing CCP4 9.0 on a brand-new MacBook Pro (M4 chip, OS 15.1.1). Specifically, when I try to launch the Package Manager (cntrl-click-open, ccp4sm-uni), the icon does that brief “zoom out” thing, but then nothing else happens. I’ve worked my way down from

Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Matthew Snee
Hi Gloria I didn’t see this mentioned (perhaps I missed it). But if you are struggling to get your initial docking solution, do check that your hand is correct. If your map is good enough you can possibly get it by building small trial sections (alpha helices can be good), for more challengin

Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Natesh Ramanathan
Dear Gloria, Already the wonderful chimera, phenix and ccpEM and other excellent softwares have been highlighted for your requirements. Along with that, I would like to suggest a small correction. It is not correct to say 'cryoEM density' or 'cryoEM density map'. X-ray Crystallog

Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Randy John Read
Thanks Martyn! I should add that support for our docking software in CCP-EM is fairly new, but it’s developing quickly. You can run emplace_local there too, though you have to provide it with the coordinates for the search center — more graphical setup akin to the ChimeraX interface should come

[ccp4bb] Explore PDBe's Enhanced Ligand Pages with New Features

2024-11-27 Thread Deborah Harrus
** *Dear all,* * We’re excited to announce the release of PDBe’s new Ligand Pages, a significant upgrade to the PDBeChem service! This revamped platform introduces many new features and offers a more comprehensive and user-friendly way to explore small molecule data in the Protein Data Bank

Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Martyn Winn - STFC UKRI
Hi Gloria, I agree that ChimeraX is the easiest starting point for this. After that, the CCP-EM suite has a variety of rigid and flexible fitting methods that you can try (including em_placement in the latest). Also many validation functions, which are kind of important 😊 Our annual Icknield

Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Randy John Read
Hi Gloria, Guillaume already mentioned emplace_local, so I’ll just mention that if you get a recent nightly build of Phenix and the latest version of ChimeraX (plus the Phenix UI plugin from the toolshed), you can tell it your map has symmetry, place a monomer, and then it will detect the symme