منابع مشابه
Molecular replacement
The CCP4 Study Weekend 2007 was held at the University of Reading. Its focus was on the most widely used macromolecular crystallographic phasing technique, molecular replacement (MR). As the number of three-dimensional structures in the PDB increases dramatically so does the popularity and applicability of this technique. Therefore, it was timely to organize this popular gathering on this techn...
متن کاملPhaser.MRage: automated molecular replacement
Phaser.MRage is a molecular-replacement automation framework that implements a full model-generation workflow and provides several layers of model exploration to the user. It is designed to handle a large number of models and can distribute calculations efficiently onto parallel hardware. In addition, phaser.MRage can identify correct solutions and use this information to accelerate the search....
متن کاملMultidimensional molecular replacement.
A method is described which attempts to simultaneously and independently determine the positional and orientational parameters of all molecules present in the asymmetric unit of a target crystal structure. This is achieved through a reverse Monte Carlo optimization of a suitable statistic (such as the R factor or the linear correlation coefficient between the observed and calculated amplitudes ...
متن کاملThe molecular replacement method.
Molecular replacement can be used for obtaining approximate phasing of an unknown structure from a known related molecule and for phase improvement as well as extension in the presence of noncrystallographic symmetry. Emphasis is placed on the latter procedure. It is shown that the real-space method of iterative electron density averaging and Fourier back transformation corresponds to iterative...
متن کاملMolecular replacement--historical background.
A review is given of the mathematical procedures required for a molecular-replacement structure determination. These apply equally to the more frequently encountered situations where a known homologous structure can be used as a search model and to phase determination in the presence of non-crystallographic symmetry (NCS). In general, the former represents improper NCS between two different uni...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 2007
ISSN: 0907-4449
DOI: 10.1107/s0907444907058714