Crystal structure determination and refinement via SIR2014
University of Perugia · Institute of Crystallography
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Abstract
SIR2014 is the latest program of the SIR suite for crystal structure solution of small, medium and large structures. A variety of phasing algorithms have been implemented, both ab initio (standard or modern direct methods, Patterson techniques, Vive la Différence ) and non- ab initio (simulated annealing, molecular replacement). The program contains tools for crystal structure refinement and for the study of three-dimensional electron-density maps via suitable viewers.
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9Topics & keywords
Topics
Keywords
- Phaser
- Ab initio
- Crystal structure
- Suite
- Crystallography
- Simulated annealing
- Electron density
- Ab initio quantum chemistry methods
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