Re: [ccp4bb] Real Space refinement is broken in 0.9.8.7

2023-07-17 Thread Mark Saper
I reported this problem to Paul and to the group at least 2-3 months ago. It affects protein as well as nucleus acid.  I never heard back from Paul if a fix was in progress. Mark_Mark A. Saper, Ph.D.Visiting ProfessorFaculty of MedicineHebrew University of Jerusalem sa...@umich.

Re: [ccp4bb] PhD position structural biology of ligand-gated ion channels

2023-07-17 Thread Chris Ulens
Dear members of the community, A PhD position is available in the Laboratory of Prof. Chris Ulens, KU Leuven, Belgium (http://www.xtal.be). The research in the Laboratory of Structural Neurobiology is aimed at understanding the molecular mechanism of ligand-gated ion channels. Our methods rely o

Re: [ccp4bb] real space refinement broken in COOT 0.9.8.8 EL?

2023-07-17 Thread David Lawson (JIC)
Hi Eugene, Many thanks – that’s sorted it! Best wishes Dave --- Prof. David M. Lawson Department of Biochemistry and Metabolism, John Innes Centre, Norwich, NR4 7UH, UK. Tel: +44-(0)1603-450725 Web: https://www.jic.ac.uk/people/david-lawson Email: david.law...@jic.a

Re: [ccp4bb] real space refinement broken in COOT 0.9.8.8 EL?

2023-07-17 Thread Eugene Pichkur
Hi! Yes, it's been broken for a long time, but it will be fixed in Coot very soon [https://pemsley.github.io/coot/blog/2023/06/05/AA-RNA.html]. A workaround is to downgrade to CCP4 v. 8.0.006 (Coot v. 0.9.8.5) through the CCP4 Update Manager. Best, Eugene On Mon, Jul 17, 2023 at 1:45 PM David La

[ccp4bb] Postdoctoral Fellowship in Crystallography / CryoEM at Genentech

2023-07-17 Thread Jawahar Sudhamsu
We have a exciting opportunity for a postdoctoral fellowship within my group (Jawahar Sudhamsu), in collaboration with Frederic de Sauvage, to work on structure determination and biochemical / biophysical characterization of proteins and protein complexes involved in the Wnt signaling cascade to

Re: [ccp4bb] real space refinement broken in COOT 0.9.8.8 EL?

2023-07-17 Thread Tsybovsky, Yaroslav (NIH/NCI) [C]
Hello, I can confirm that this happens in 0.9.8.7. The problem is intermittent and I have not been able to determine what causes it so far. Some residues just fall apart into atoms as a result of real space refinement. Best, Yaroslav Yaroslav Tsybovsky, Ph.D. (contractor) Senior Scientist & He

[ccp4bb] real space refinement broken in COOT 0.9.8.8 EL?

2023-07-17 Thread David Lawson (JIC)
Hi All, Is it just me, but is real space refinement broken in COOT 0.9.8.8 EL? I am seeing this working through CCP4i2 (CCP4-8.0.012) and CCP4 cloud (v 1.7) on an M1 iMac (running Monterey 12.6.7). I am working on a protein-DNA complex and finding that often when I do real space refinement (wel

[ccp4bb] Clustering of distinct protein conformations across the whole PDB archive

2023-07-17 Thread David Armstrong
Dear ccp4bb, The PDBe team is excited to unveil a new process for identifying protein conformational states across the Protein Data Bank (PDB) archive. Using deterministic clustering, we have developed a data pipeline that offers unprecedented insights into the structural variability of protei

[ccp4bb] General interest

2023-07-17 Thread John R Helliwell
Dear Colleagues, I imagine that this book on the History of Scientific Journals: Publishing at The Royal Society 1665-2015, which I have reviewed in the current issue of J Appl Cryst will be of interest:- https://journals.iucr.org/j/issues/2023/04/00/xo0198/index.html My review is open access.