[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)
modify-able?
i.e.
could I make a custom
my_params.def
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?
Cheers
Peter
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
> Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov
> PHENIX web site: http:www.phenix-online.org
> ISFI Integrated Center for Structure and Function Innovation web site:
> http://www.techcenter.mbi.ucla.edu
> TB Structural Genomics Consortium web site: http://www.tbgenomics.org
>
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