UsingPHASERfor phasing in conjunction with wide-convergence refinement and model building techniques
نویسندگان
چکیده
منابع مشابه
Model building, refinement and validation
The CCP4 Study Weekend 2011 was held at the University of Warwick on the 6–7 January. Following a long established tradition of discussing at the Study Weekend the most important crystallographic topics, the choice for 2011 was the 'Model building, refinement and validation' triple bill. As a result of the extraordinary efforts of instrumentation and software developers, macromolecular crystall...
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A likelihood function based on the multivariate probability distribution of all observed structure-factor amplitudes from a single isomorphous replacement with anomalous scattering experiment has been derived and implemented for use in substructure refinement and phasing as well as macromolecular model refinement. Efficient calculation of a multidimensional integration required for function eva...
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Central to crystallographic structure solution is obtaining accurate phases in order to build a molecular model, ultimately followed by refinement of that model to optimize its fit to the experimental diffraction data and prior chemical knowledge. Recent advances in phasing and model refinement and validation algorithms make it possible to arrive at better electron density maps and more accurat...
متن کاملConvergence Refinement
Refinement tools such as compilers do not necessarily preserve fault-tolerance. That is, given a fault-tolerant program in a high-level language as input, the output of a compiler in a lower-level language will not necessarily be faulttolerant. In this paper, we identify a type of refinement, namely “convergence refinement”, that preserves the faulttolerance property of stabilization. We illust...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2013
ISSN: 0108-7673
DOI: 10.1107/s0108767313099649