# # Copyright (C) 1999-2004 Liz Potterton, Peter Briggs # # This code is distributed under the terms and conditions of the # CCP4 Program Suite Licence Agreement as a CCP4 Library. # A copy of the CCP4 licence can be obtained by writing to the # CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. # #CCP4i_cvs_Id $Id$ #=========================================================================== # # mosflm.script # #=========================================================================== # Source pdb_utils for harvest handling & move to project directory # if we are going to dump harvest file to current directory source [SearchPath TOP utils pdb_utils.tcl ] if { [StringSame $HARVEST_MODE CURRENTDIR ] } { ChangeDirectory [GetDefaultDirPath] } CreateComScript mosflm mosflm_script # Assign SUMMARY filename set summary "[SetOutputFileRoot]_SUMMARY.loggraph" AddOutputFile $summary PROJECT # Set temporary file for SPOTOD set spotod [GetTmpFileName -ext spotod] # Add them as output files so that they will be available for # clean up if the script exits prematurely AddOutputFile $spotod TEMPORARY # Build the command line and run set cmd "[BinPath ipmosflm] HKLOUT $HKLOUT SUMMARY $summary SPOTOD $spotod" # Set temporary file for COORDS if { $SEPARATION_CLOSE } { set coords [GetTmpFileName -ext coords] AddOutputFile $coords TEMPORARY append cmd " COORDS $coords" } set status [Execute $cmd $mosflm_script program_status report] # Delete the spotod files DeleteFile $spotod # Delete the coords file if { $SEPARATION_CLOSE } { DeleteFile $coords } # Deal with harvest file # Note that Mosflm's harvest files use a different naming scheme: # dataset.mosflm_run_#1_#2 # where #1 and #2 are the extreme image numbers specified in the # last processing run. set progname mosflm_run append progname _ $FIRST_IMAGE _ $LAST_IMAGE HandleHarvestFile $HARVEST_MODE $HARVEST_PNAME $HARVEST_DNAME $progname