Automated structure solution, density modification and model building
نویسندگان
چکیده
منابع مشابه
Automated structure solution, density modification and model building.
The approaches that form the basis of automated structure solution in SOLVE and RESOLVE are described. The use of a scoring scheme to convert decision making in macromolecular structure solution to an optimization problem has proven very useful and in many cases a single clear heavy-atom solution can be obtained and used for phasing. Statistical density modification is well suited to an automat...
متن کاملSOLVE and RESOLVE: automated structure solution, density modification and model building.
The software SOLVE and RESOLVE can carry out all the steps in macromolecular structure solution, from scaling and heavy-atom location through phasing, density modification and model-building in the MAD, SAD and MIR cases. SOLVE uses scoring scheme to convert the decision-making in macromolecular structure solution to an optimization problem. RESOLVE carries out the identification of NCS, densit...
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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...
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An iterative process for improving the completeness and quality of atomic models automatically built at moderate resolution (up to about 2.8 A) is described. The process consists of cycles of model building interspersed with cycles of refinement and combining phase information from the model with experimental phase information (if any) using statistical density modification. The process can lea...
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Preface On the history of the book: In the early 1990s several new methods and perspectives in automated deduction emerged. We just mention the superposition calculus, meta-term inference and schematization, deductive decision procedures, and automated model building. It was this last field which brought the authors of this book together. In 1994 they met at the Conference on Automated Deductio...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 2002
ISSN: 0907-4449
DOI: 10.1107/s0907444902016438