Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard
Los Alamos National Security (United States) · Los Alamos National Laboratory · +2 more institutions
Abstract
The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from…
Citation impact
- FWCI
- 17.95
- Percentile
- 100%
- References
- 11
Authors
8- TCThomas C. TerwilligerCorresponding
Los Alamos National Security (United States), Los Alamos National Laboratory
- RWRalf W. Grosse‐Kunstleve
Lawrence Berkeley National Laboratory
- PVPavel V. Afonine
Lawrence Berkeley National Laboratory
- NWNigel W. Moriarty
Lawrence Berkeley National Laboratory
- PHPeter H. Zwart
Lawrence Berkeley National Laboratory
Topics & keywords
- Wizard
- Computer science
- Ranging
- Factor (programming language)
- Model building
- Resolution (logic)
- Set (abstract data type)
- Algorithm