Re: [ccp4bb] Structures refined ad mentula canis (this is Latin)

I have not much to contribute to this discussion, but I did run three refinements - TLS as defined in the PDb, Iso B factors only, and unrestrained aniso Bs . The free R factors are almost the same for all three, Rwork same for TLS and IsoBs - lower for aniso.. I checked the peak heights for the an

Re: [ccp4bb] Structures refined ad mentula canis (this is Latin)

Dear all, trying to be more constructive in this particular discussion concerning TLS, I remind you an article especially devoted to a question if the applied TLS model and its results are physically meaningful and, if not (indeed, in very many cases), how to make them such (if possible) or to

[ccp4bb] Instruct-ERIC Structure Meets Function Webinar #36 - Lithuania

[https://instruct-eric.org/upload/6c9ia5VjN1YcZoc8UQs3p4MaQZyLakNM.jpg] Register now for the 36th edition of the Instruct-ERIC Structure Meets Function webinar series, taking place 11:00 CET on 19 November

Re: [ccp4bb] Structures refined ad mentula canis (this is Latin)

Dear Robbie, thank you for this very detailed and inspiring contribution to the discussion. However, three key issues must be taken into account when dividing a protein structure into numerous small miniblocks. It is crucial to remember that these miniblocks must remain rigid, with their interato

Re: [ccp4bb] Structures refined ad mentula canis (this is Latin)

Dear Pavel, thanks for this information. Nevertheless, I believe that the vast majority of people employed in macromolecular crystallography laboratories (group leaders, post-docs, PhDs, and master students) are unable to read and comprehend these articles due to their extremely superficial kno

Re: [ccp4bb] Structures refined ad mentula canis (this is Latin)

Dear Pietro, 1. Obvious. 2. This is not the case in the structure I mentioned. Oliviero Il giorno mer 30 ott 2024 alle ore 08:27 PIETRO ROVERSI < pietro.rove...@cnr.it> ha scritto: > My twopenny worth: > > >1. TLS reduces the number of degrees of freedom in the parametrisation >of therm