# # 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 $Id$ #===================================================================== # # Run dm # #===================================================================== # 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 $HARVEST_MODE CURRENTDIR ] } { ChangeDirectory [GetDefaultDirPath] } CreateComScript dm dm_script set cmd "[BinPath dm] HKLIN \"$HKLIN\" HKLOUT \"$HKLOUT\"" if { $SOLVENT_MASK_MODE } { append cmd " SOLIN \"$MASKIN\"" } else { append cmd " SOLOUT \"$MASKOUT\"" } if { $DM_AVERAGING } { if { $NCSMASK } { set maskout [SetOutputFileRoot -map]_ncs.msk append cmd " NCSOUT \"$maskout\"" AddOutputFile $maskout MAP_DEFAULT } else { for { set i 1 } { $i <= $NCS_NDOMAINS } { incr i } { if { $NCS_MASK_FILE($i) != "" } { append cmd " NCSIN$i \"$NCS_MASK_FILE($i)\"" } } } if { $IFVUOUT } { set vuout [SetOutputFileRoot]_ncs.$VUOUT_FORMAT append cmd " VUOUT $vuout" } } set status [Execute $cmd $dm_script program_status report ] if { $IFVUOUT } { AddOutputFile $vuout PROJECT } HandleHarvestFile $HARVEST_MODE $HARVEST_PNAME $HARVEST_DNAME dm #-------------------------------------------------------------------- # generate map #-------------------------------------------------------------------- if { $IF_MAPOUT } { WriteHtml beg pre source [SearchPath TOP utils map_utils.tcl] source [SearchPath TOP scripts dm_maps.script] }