[ccp4bb] Validation of structure prediction

2022-01-17 Thread dusan turk
Hi guys, Maybe this may address a few of your questions. In 2019 we published a method to validate structures unbiased from the terms used in refinement and works on predicted models too. Pražnikar, J., Tomić, M. & Turk, D. Validation and quality assessment of macromolecular structures using

[ccp4bb] Structural Biology Cryo-EM TT Asst. Professor at University of Nebraska

2022-01-17 Thread Alex Vecchio
Dear CCP4BB Community, I would like to bring your attention to a Tenure-track faculty position at the rank of Assistant Professor in the Department of Biochemistry at the University of Nebraska-Lincoln (UNL). We are looking for candidates with research programs studying the structural biology

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

2022-01-17 Thread Dom Bellini
Hi Clemens, I was aware of these possibilities with autoprocess and buster combination but this is a very neat and useful explanation, many thanks. The case I’m dealing most often these days with our users is when the raw data are from staraniso (ie mmcif available) and the refined mtz is

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

2022-01-17 Thread Clemens Vonrhein
Dear Dom, On Fri, Jan 14, 2022 at 10:56:32PM +, Dom Bellini wrote: > Thanks for your inputs. I wonder why the PDB doesn’t allow to submit > two separate mtz files, Ideally, these would actually be mmCIF files since MTZ files (1) can not hold all meta data a PDBx/mmCIF compatible file could

Re: [ccp4bb] Validation of structure prediction

2022-01-17 Thread CAVARELLI Jean (VIE)
May be useful if not already mentioned Ten things I `hate' about refinement Pietro Roversi and Dale E. Tronrud https://journals.iucr.org/d/issues/2021/12/00/qt5008/index.html - Jean Cavarelli Professor of Structural Biology "Structural biology of epigenetic

Re: [ccp4bb] Validation of structure prediction

2022-01-17 Thread Jan Dohnalek
I think quite a bit of this "inconsistency" with protein structures comes from the fact that with our larger globules it is much more true that our model is an approximate time and space average of something that could have the ideal geometry. I.e. the way we are trying to represent the density is