Hi Phil, That script looks fine. If you have NCS, then it is good to add ha_file my-ha-sites.pdb so that it can find the NCS. Also your script will build a model...to skip that say no_build If you are building a model I'd recommend also trying phenix.autobuild which will generally do much better than the resolve run in your script. If you are wanting to run HYSS -> PHASER -> RESOLVE then you can also just run phenix.autosol which will do that for you. All the best, Tom T On Jul 13, 2009, at 11:35 AM, Phil Jeffrey wrote:
Although my usual m.o. is SHELX -> SHARP I'm exploring HYSS -> PHASER -> RESOLVE to see if the maps are any more interpretable. I think I've got good scripts for the first two steps but I'm not sure about my resolve script which stands at:
phenix.resolve << EOD hklin myp3_auto.mtz LABIN FP=F SIGFP=SIGF PHIB=PHIB FOM=FOM HLA=HLA HLB=HLB HLC=HLC HLD=HLD hklout resolve.mtz solvent_content 0.45 seq_file myp3.pir EOD
This runs, but I could not tell from delving into the documentation if this was ideal or not.
Thanks Phil Jeffrey (a Luddite and not using the GUI) Princeton _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
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://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss