# # 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 $Id$ # Draw specific maps for review after run of dm # This script is used stand-alone from task_maps or sourced from dm script source [SearchPath TOP utils map_utils.tcl] # Create maps for input and output density set mapin [SetOutputFileRoot -map]_in.map set mapout [SetOutputFileRoot -map]_out.map CreateMap $MAPOUT_FORMAT $HKLIN mapin "Map input to DM" \ [list F1 W PHI ] [list $FP $FOMO $PHIO] -xtal [list FP FOM PHIB] CreateMap $MAPOUT_FORMAT $HKLOUT mapout "Map after DM" \ [list F1 W PHI ] [list $FP $FOMDM $PHIDM] -xtal [list FP FOM PHIB] AddOutputFile $mapin MAP_DEFAULT $mapout MAP_DEFAULT # If possible convert mask to appropriate format if { [regexp O|QUANTA $MAPOUT_FORMAT] } { set maskout [SetOutputFileRoot -map]_mask.mbk ConvertMapFormat $MAPOUT_FORMAT $MASKOUT $maskout $LOG_FILE -nonorm AddOutputFile $maskout MAP_DEFAULT } # Make macros for O and XtalView if [regexp O $MAPOUT_FORMAT] { set macro_file [SetOutputFileRoot].mac MakeOMapMacro $macro_file [list $mapin $mapout $maskout ] \ [list dm_in dm_out mask ] [list 1.0 1.0 0.5 ] \ [list slate_blue red green] 200.0 -mtz $HKLOUT -centre AddOutputFile $macro_file PROJECT } elseif [regexp XtalView $MAPOUT_FORMAT] { WriteToLog "Writing file for XtalView $mapout\n\n **Once you are in Xtalview.......\nUse a `Fo*FOM (Xheavy) map'\n" set crystal_file [SetOutputFileRoot].xtal set macro_file [SetOutputFileRoot]_xtal.script MakeXtalMacro $HKLOUT $crystal_file $macro_file \ [list $mapin $mapout] [list Fo*fom Fo ] [list 8 8 ] AddOutputFile $crystal_file PROJECT $macro_file PROJECT }