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: [email protected] 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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Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] 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