CRYSTALS enhancements: asymmetric restraints

The traditional Waser distance restraint, the rigid-bond restraint and atomic displacement parameter (ADP) similarity restraints have an equal influence on both atoms involved in the restraint. This may be inappropriate in cases where it can reasonably be expected that the precision of the determina...

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Détails bibliographiques
Auteurs principaux: Cooper, R, Thorn, A, Watkin, D
Format: Journal article
Langue:English
Publié: International Union of Crystallography 2012
Sujets: