[phenixbb] sa

Peter Zwart PHZwart at lbl.gov
Fri Jul 14 13:43:59 PDT 2006

Hi Tom,

Are other, more 'global' options in the refinement during AutoBuild 
(mainly concerning rebuilding in place after a molecular replacement) 
could I make a custom


file (with TLS or NCS groups for instance, as well as a cif file for a 
ligand), and have it inserted in the parameter scope used by AutoSol for 
the refinement?



Tom Terwilliger wrote:
> Hi again Nick,
> I should add that the SA option applies (unfortunately) to all refinements, 
> there is no option at present to only do SA once per cycle as you were 
> looking for.
> All the best,
> Tom T
> Thomas C. Terwilliger
> Mail Stop M888
> Los Alamos National Laboratory
> Los Alamos, NM 87545
> Tel:  505-667-0072                 email: terwilliger at LANL.gov
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