[cctbxbb] Fast way to enable/disable individual scatterers in structure factor calculation
Luc Bourhis
luc_j_bourhis at mac.com
Fri Jun 29 01:27:19 PDT 2012
Hi Jan,
> I'm looking for a simple and fast way to set individual scatterers to be
> either included or excluded from structure factor calculation.
I recommend not to do that. Instead I would create a new instance of xray.structure with those scatterers you want, using the the methods xxx_selection and then the method select, and then use it for structure factor calculations.
Best wishes,
Luc
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