Web18. mar 2024 · ( b) The final 2F O -F C electron density map (grey mesh) contoured at 1.0 σ and the refined structure of the overhanging duplex with Zn 2+. The DNA and 2′-OMe-RNA strands are shown as sticks in yellow and cyan color schemes, respectively. Zn 2+ ions and water molecules are shown as purple and red spheres, respectively. 3.1. http://www.uoxray.uoregon.edu/local/manuals/phenix-1.24.1b/phenix/structure_refinement.html
Improved low-resolution crystallographic refinement with Phenix …
Web2. júl 2012 · I recently started to refine a structure with phenix.refine for a first It is a 3A dataset with NCS of 8. use TLS groups as well as individual B-factors (data/parameter … WebCombining rigid body refinement with individual site and B-factor refinement: % phenix.refine data.hkl model.pdb \ strategy=rigid_body+individual_sites+individual_adp … scientific word for bug
[phenixbb] High B-factors and High Clash Score - phenix.lbl.gov
Web5. aug 2015 · I am trying to solve the structure of a protein. Resolution is 2.3A. The average B factor is around 56.0. Wilson B estimate is 36.4. I have a good R work of 0.2 and R free … WebRunning phenix.refine Giving parameters on the command line or in files Refinement scenarios Refinement with all default parameters Refinement of coordinates Refinement … WebRunning phenix.refine Giving parameters on the command line or in files Refinement scenarios Refinement with all default parameters Refinement of coordinates Refinement of Atomic Displacement Parameters (ADP or B-factors) Occupancy refinement f' and f'' … Other links Bibliography Dictionary Index Find a program or regression test Citing … Individual B-factors is restrained atomic B-factor refinement, and is usually … For B-factor refinement, leaving the selections set to None will result in their … praxis halle hill hameln