# # 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 # #===================================================================== switch $DM_NCROSS_MODE \ RANDOM { set DM_NCROSS 1 } FIXED { set DM_NCROSS 2 } MULTI { set DM_NCROSS [expr $DM_NCROSS_NSETS +1] } CreateComScript dmmulti dmmulti_script set cmd "[BinPath dmmulti] " for { set n 1 } { $n <= $NCRYSTALS } { incr n } { append cmd "HKLIN$n \"$HKLIN($n)\" HKLOUT$n \"$HKLOUT($n)\" " if { $SOLVENT_MASK_MODE($n) } { append cmd " SOLIN$n \"$SOLIN($n)\" " } else { append cmd " SOLOUT$n \"$SOLOUT($n)\" " } } for { set i 1 } { $i <= $NDOMAINS } { incr i } { append cmd " MSKIN$i \"$MASKIN($i)\"" } # if { $IFVUOUT } { # set vuout [SetOutputFileRoot]_ncs.$VUOUT_FORMAT # append cmd " VUOUT $vuout" # } set status [Execute $cmd $dmmulti_script program_status report ] # if { $IFVUOUT } { AddOutputFile $vuout PROJECT } #-------------------------------------------------------------------- # generate map #-------------------------------------------------------------------- if { $IF_MAPOUT } { WriteHtml beg pre source [SearchPath TOP utils map_utils.tcl] source [SearchPath TOP scripts dm_maps.script] }