Web10. jan 2024 · To address the emerging structure-refinement needs of the rapidly growing field of cryo-EM, the phenix.real_space_refine program (Afonine et al., 2013 ), which is … WebThe program used to refine atomic models in real space is phenix.real_space_refine. The algorithm uses a simplified refinement target function that speeds up calculations, so …
Real-space refinement in PHENIX for cryo-EM and crystallography
Web17. jan 2024 · This article describes the implementation of real-space refinement in the phenix.real_space_refine program from the Phenix suite. Use of a simplified refinement … Web27. feb 2024 · Molecule Specifications. This input section specifies the nuclear positions and the number of electrons of α- and β-spin. There are several ways in which the nuclear … newlyn title assurance co
Tutorial: Molecular replacement, refinement, and rebuilding …
WebThis article describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime … Web1. jún 2024 · This article describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. WebNeither phenix.refine, DEN nor REFMAC5 was able to improve the models beyond an R. free. However, Rosetta-Phenix refinement starting from the conforma-tion in the absence of calcium (PDB 2ZBG) resulted in a greatly improved fit to the data: R. free newlyns wine shop