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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Autori principali: Cooper, R, Thorn, A, Watkin, D
Natura: Journal article
Lingua:English
Pubblicazione: International Union of Crystallography 2012
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