wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-density maps) as an additional step after density-modification methods such as solvent flattening and averaging. The initial phase set is used to create a number of dummy atom models which are subjected to least-squares or maximum-likelihood refinement and iterative model updating in an automated refinement procedure (ARP). Averaging of the phase sets calculated from the refined output models and weighting of structure factors by their similarity to an average vector results in a phase set that improves and extends the initial phases substantially. An important requirement is that the native data have a maximum resolution beyond \sim2.4 Å. The...
This article deals with the development of a new technique, RAGA (real-atom grid approximation), for...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 148...
wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-d...
The aim of ARP/wARP is improved automation of model building and refinement in macromolecular crysta...
Refinement is a critical step in the determination of a model which explains the crystallographic ob...
An approach is presented for addressing the challenge of model rebuilding after molecular replacemen...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
The incorporation of the new peakness-enhancing fast Fourier transform compatible ipp procedure (ipp...
Often a crystallographer obtains an electron density map which shows only part of the structure. In ...
SummaryThe automated building of a protein model into an electron density map remains a challenging ...
Structure determination of macromolecules often depends on phase improvement and phase extension by ...
The aim of crystallographic structure solution is typically to determine an atomic model which accur...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
In choosing and refining any crystallographic structural model, there is tension between the desire ...
This article deals with the development of a new technique, RAGA (real-atom grid approximation), for...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 148...
wARP is a procedure that substantially improves crystallographic phases (and subsequently electron-d...
The aim of ARP/wARP is improved automation of model building and refinement in macromolecular crysta...
Refinement is a critical step in the determination of a model which explains the crystallographic ob...
An approach is presented for addressing the challenge of model rebuilding after molecular replacemen...
Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probab...
The incorporation of the new peakness-enhancing fast Fourier transform compatible ipp procedure (ipp...
Often a crystallographer obtains an electron density map which shows only part of the structure. In ...
SummaryThe automated building of a protein model into an electron density map remains a challenging ...
Structure determination of macromolecules often depends on phase improvement and phase extension by ...
The aim of crystallographic structure solution is typically to determine an atomic model which accur...
The expected electron density for an atomic model is calculated directly from the coordinates in a r...
In choosing and refining any crystallographic structural model, there is tension between the desire ...
This article deals with the development of a new technique, RAGA (real-atom grid approximation), for...
The proposed technique for phase improvement is based on the refinement of a so-called mixed electro...
The program CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 148...