WinGX and ORTEP for Windows: an update
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Summary
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.
- Type
- article
- Published
- 2012-08-01
- Cited by
- 9,314
- References
- 29
- OpenAlex
- https://openalex.org/W1990170643
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:54723760
Keywords
Computer science, Software, Graphical user interface, Computer graphics (images), Suite
References
- Crystal structure refinement : a crystallographer's guide to SHELXL
- SIR97: a new tool for crystal structure determination and refinement
- Foundations of residual-density analysis.
- Interpretation of atomic displacement parameters from diffraction studies of crystals
- SIR2004: an improved tool for crystal structure determination and refinement
- SIR2011: a new package for crystal structure determination and refinement
- Ab initio structure solution by charge flipping. II. Use of weak reflections.
- The difference electron density: a probabilistic reformulation.
- IL MILIONE: a suite of computer programs for crystal structure solution of proteins
- ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
- WinGX suite for small-molecule single-crystal crystallography
- λ/2 Contamination in charge‐coupled‐device area‐detector data
- SIR2002: the program
- The GX crystallographic program system
- Completion and refinement of crystal structures with SIR92
- An empirical method for correcting diffractometer data for absorption effects
- A short history of SHELX.
- CRYSTALS version 12: software for guided crystal structure analysis
- An empirical correction for absorption anisotropy.
- SUPERFLIP– a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions
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