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...

ver descrição completa

Detalhes bibliográficos
Principais autores: Cooper, R, Thorn, A, Watkin, D
Formato: Journal article
Idioma:English
Publicado em: International Union of Crystallography 2012
Assuntos: