Re: [ccp4bb] Occupancy Refinement limitation

2023-09-05 Thread Pavel Afonine
Hi Matt, I believe figure 3 here: https://www.nature.com/articles/s41467-018-06957-w is relevant to your question. Pavel On Tue, Sep 5, 2023 at 11:32 AM Matt McLeod wrote: > Hi all, > > I am trying to get some insight in the accuracy/precision of occupancy > refinements. I have done some

[ccp4bb] Occupancy Refinement limitation

2023-09-05 Thread Matt McLeod
Hi all, I am trying to get some insight in the accuracy/precision of occupancy refinements. I have done some 2-state occupancy refinements and have observed the refinement achieving ~0.25-0.3 occupancy for the minor population. This population, when observing the electron density maps, had

[ccp4bb] Software Developer opening position at RCSB PDB (Rutgers)

2023-09-05 Thread Jasmine Young
RCSB Protein Data Bank is seeking a highly motivated software developer with experience in database administration and domain experience in computer science or relevant certification. This position will involve collaboration with wwPDB scientists and software developers in a collaborative team

[ccp4bb] ccp4i2 refmac: results interface not responding

2023-09-05 Thread Marian Oliva
Dear list, I’m having an issue with my CCP4i2 interface and I wonder if I can get some feed-back from your side. When running refmac the results window gets stuck meaning that if I try to move between the different menus (per cycle statistics, outliers identify, etc.) the window does not

[ccp4bb] Call for proposals SOLEIL - AP33 deadline 15 Sep 2023

2023-09-05 Thread SHEPARD William
Hi Everybody, This is just a gentle reminder that the deadline for proposals for beamtime at SOLEIL is fast approaching - 17h00 (Paris time) 15 September 2023 . This call (AP33) includes BAG proposals for PROXIMA1, PROXIMA 2A and SWING beamlines for MX, micro-MX and SAXS experiments, as well