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Constraints and restraints in crystal structure analysis
The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed.
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246815/ https://www.ncbi.nlm.nih.gov/pubmed/22477768 http://dx.doi.org/10.1107/S0021889808044142 |
| Sumario: | The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed. |
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