Webdownload the CIF-file Use JLigand JLigand is a graphical CCP4 program. Just start a new ligand, define and link the atoms that make up your ligand, together with the hydrogens. Then regularise and save the restraint file. Use Phenix tools See Phenix utilities at e.g. http://phenix-online.org/version_docs/1.9-1688/ . Use the PRODRG server Webphenix.refine mydata_truncate-unique.mtz mydata.pdb refinement.input.xray_data.labels="F,SIGF" Or you can simply run CCP4's CAD program and omit the intensity data. it might not be the worst idea to prevent this undocumented stealth feature coming back to haunt you. Manifestation of Vanishing Data
Towards automated crystallographic structure refinement with phenix.refine
WebPhenix tutorial: phenix.refine using default values (GUI) Phenix Tutorials 1.82K subscribers 61 10K views 6 years ago Phenix tools This tutorial explains how to run phenix.refine in the... WebApr 1, 2012 · phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of … forensic planning methods
improved low-resolution crystallographic refinement with …
WebJul 4, 2024 · In order to check whether Phenix 1.19.2 slows down Phaser, I installed Phenix 1.19.2 on the Linux-1 (Ubuntu 18), it took 600.2 seconds to finish molecular replacement. So it is unclear how Phaser on M1-based mac mini processes slowly. Autobuild always returns well built chains A and B. No significant differences between 5 test platforms. WebPhenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. Webphenix.refine - general purpose crystallographic structure refinement program Contents Overview Graphical interface Citation reference and comprehensive methodology details Available features at a glance Current limitations Remark on using amplitudes (Fobs) vs intensities (Iobs) phenix.refine organization Running phenix.refine did wells fargo change their logo