# # Copyright (C) 2005 Ronan Keegan # # This code is distributed under the terms and conditions of the # CCP4 Program Suite Licence Agreement as a CCP4 Application. # A copy of the CCP4 licence can be obtained by writing to the # CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. # #=========================================================================== # # mrbump.script # #=========================================================================== global env ############################################################################ # Make a note of the main directory to run in ############################################################################ set rundir [FileJoin [GetDefaultDirPath] search_$job_params(JOB_ID)] AddOutputDir $rundir ############################################################################ # Start the job ############################################################################ CreateComScript mrbump mrbump_script if { [info exists env(MRBUMP)] } { set mrbump [file join $env(MRBUMP) bin/mrbump] } else { set mrbump [file join $env(CCP4) bin/mrbump] } if { $MRBUMP_MODE == "MODELS" } { set cmd "$mrbump SEQIN $SEQIN KEYIN $mrbump_script" } else { set cmd "$mrbump HKLIN $HKLIN SEQIN $SEQIN HKLOUT $HKLOUT XYZOUT $XYZOUT KEYIN $mrbump_script" } set status [Execute $cmd $mrbump_script program_status report] if { $HTMLOUT } { set RESULTS_HTML "results_$job_params(JOB_ID).html" AddOutputFile $RESULTS_HTML PROJECT }