articleJournal of Applied CrystallographyJul 13, 2012Closed access

WinGX and ORTEP for Windows : an update

University of Glasgow

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Abstract

The WinGX suite provides a complete set of programs for the treatment of small-molecule single-crystal diffraction data, from data reduction and processing, structure solution, model refinement and visualization, and metric analysis of molecular geometry and crystal packing, to final report preparation in the form of a CIF. It includes several well known pieces of software and provides a repository for programs when the original authors no longer wish to, or are unable to, maintain them. It also provides menu items to execute external software, such as the SIR and SHELX suites of programs. The program ORTEP for Windows provides a graphical user interface (GUI) for the classic ORTEP program, which is the…

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Topics & keywords

Keywords
  • Computer science
  • Software
  • Graphical user interface
  • Computer graphics (images)
  • Suite
  • Visualization
  • Variety (cybernetics)
  • Set (abstract data type)
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