modify your search
 Results for DC.creator="A." AND DC.creator="Perrakis"
ARP/wARP - automated model building and refinement
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, ch. 18.8, pp. 525-528 [ doi:10.1107/97809553602060000862 ]
... hybrid models integrated with model refinement and reconstruction to provide a unified approach. The ARP/wARP protocols are computationally efficient and ... construction of structures of proteins, polynucleotides, bound ligands and solvent. A macromolecular model is an interpretation of the end result of ... used, deliver high-quality molecular models rapidly and efficiently from a sufficiently good set of initial phases. 18.8.1. Refinement and ...

Iterations
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, Section 18.8.4, p. 528 [ doi:10.1107/97809553602060000862 ]
... improve overall and result in an enhanced electron density where a more accurate and more complete model may be built. An ...

Solvent building
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, Section 18.8.3.5, pp. 527-528 [ doi:10.1107/97809553602060000862 ]
... the solvent structure is continuously updated. Since ordered solvent in a typical crystal structure comprises about 10% of the model, improvement ...
     [more results from section 18.8.3 in volume F]

Free-atom and hybrid models
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, Section 18.8.2, pp. 525-526 [ doi:10.1107/97809553602060000862 ]
... atom and hybrid models 18.8.2. Free-atom and hybrid models A crystallographic electron-density map is always sampled on a regular grid. The goal of macromolecular model building is to condense the electron-density information to a molecular model. ARP/wARP entirely follows the paradigm of ...

Refinement and model building are two parts of modelling a structure
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, Section 18.8.1, p. 525 [ doi:10.1107/97809553602060000862 ]
Refinement and model building are two parts of modelling a structure 18.8.1. Refinement and model building are two parts of modelling a structure The conventional view of crystallographic refinement of macromolecules is the optimization of the parameters of a model to fit both the experimental data and a ...

Applicability and requirements
Lamzin, V. S., Perrakis, A. and Wilson, K. S.  International Tables for Crystallography (2012). Vol. F, Section 18.8.5, p. 528 [ doi:10.1107/97809553602060000862 ]
... data. Highly complete and accurate protein models are obtained at a resolution of 2.7 or higher provided that reasonable starting phase ... al., 2009) proved essential for successful automated model building in a number of difficult test cases. The resolution of the X ... elements does not use free atoms and is applicable at a resolution of as low as 4.5. We note ...

powered by swish-e
























































to end of page
to top of page