Dear list, another question related to stereochemistry, but concerning coot. When using the RSR zone button, which should "improve geometry and fit to map", it seems that the geometry is not always improved : some chiral centers can be inverted. The surprising thing is that using the "regularize zone" afterwards does not correct this, even if the chirality of the center is not set to both, but to positive in the cif dictionnary (ie should define only one possible chirality). Has anybody else notices this behavior ? Is there a way to adjust the weight between geometru and map terms in the RSR option ? thanks for any ideas or advices laurent ------------------------------------------------------------------- Laurent Maveyraud laurent.maveyraud AT ipbs DOT fr Université Paul Sabatier Toulouse III I.P.B.S. UMR 5089 Groupe de Biophysique Structurale Département Mécanismes Moléculaires des Infections Mycobactériennes 205 route de Narbonne 31077 TOULOUSE Cedex FRANCE Tél: +33 (0)561 175 435 Fax : +33 (0)561 175 994 -------------------------------------------------------------------
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