[phenixbb] sa

Tom Terwilliger terwilliger at lanl.gov
Fri Jul 14 13:50:33 PDT 2006


Hi Peter,

This is a very good idea, but does not exist yet. There could be a 
parameter that says "read the following parameter file for phenix.refine 
always during this run"  "read this other parameter file for all resolve 
runs"  etc...

-Tom

At 01:43 PM 7/14/2006 -0700, you wrote:
>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
> >
> > _______________________________________________
> > phenixbb mailing list
> > phenixbb at phenix-online.org
> > http://www.phenix-online.org/mailman/listinfo/phenixbb
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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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