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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