articleJournal of Applied CrystallographyJan 29, 2015Closed access

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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Authors

9

Topics & keywords

Keywords
  • Phaser
  • Ab initio
  • Crystal structure
  • Suite
  • Crystallography
  • Simulated annealing
  • Electron density
  • Ab initio quantum chemistry methods
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