Twinning: Difference between revisions

Twinning (edit)

186 bytes added , 14 May 2012

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 == Refinement ==
-Refinement of merohedral twinned data is possible using [[CNS]] (for input files, see CNS homepage - main menu - input files - x ray - twinning) . Pseudo-merohedrally twinned data can be refined with [[SHELXL]] ([http://shelx.uni-ac.gwdg.de/~rherbst/twin.html Twin-Refinement with SHELXL]) and [[PHENIX]] ([http://www.phenix-online.org/documentation/refinement.htm#anch144 Refinement using twinned data]).
+Refinement of merohedrally and pseudo-merohedrally twinned data data is possible using [[CNS]] (for input files, see CNS homepage - main menu - input files - x ray - twinning), [[ccp4dev:Refinement_with_Refmac5|Refmac]] or [[Phenix|phenix.refine]] ([http://www.phenix-online.org/documentation/refinement.htm#anch38 Refinement using twinned data]) and has always been possible with [[SHELXL]] ([http://shelx.uni-ac.gwdg.de/~rherbst/twin.html Twin-Refinement with SHELXL]).
+Be aware that R-factors may not be directly comparable: G.Murshudov, Appl. Comput. Math., V.10, N.2, 2011, pp.250-261.
 == '''Warning Signs for Twinning''' ==