Web1. júl 2024 · PAIREF: paired refinement also for Phenix users. In macromolecular crystallography, paired refinement is generally accepted to be the optimal approach for … Web16. mar 2012 · This article is from Acta Crystallographica Section D: Biological Crystallography, volume 68.Abstractphenix.refine is a program within the PHENIX package that...
Towards automated crystallographic structure refinement with phenix.refine
WebUse of knowledge-based restraints in phenix.refine to improve macromolecular refinement at low resolution (Q35878822) From Wikidata. Jump to navigation Jump to search. scientific article published on 16 March 2012. edit. Language Label Description WebRefinement of Atomic Displacement Parameters (ADP or B-factors) An ADP in phenix.refine is defined as a sum of three contributions: Utotal = Ulocal + Utls + Ucryst. where Utotal is the total ADP, Ulocal reflects the local atomic vibration (also named as residual B) and Ucryst reflects global lattice vibrations. natural shea butter
Towards automated crystallographic structure refinement with phenix
WebThe graphical interface for phenix.refine runs the unmodified command-line version; default settings are unchanged. All parameters should be configurable through the GUI, although some of these (such as NCS restraint groups) are handled in a non-standard way. WebTo improve low-resolution refinement, knowledge from macromolecular chemistry and homology was used to add three new coordinate-restraint functions to the refinement … Web12. apr 2024 · SignificanceIron is an essential nutrient for bacteria but has poor bioavailability in the environment and in host organisms due to its sequestration and low solubility. To overcome this challenge,... marilyn\\u0027s eyes cast