# # 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 $Id$ # Create refmac-specific maps # This script is used independently or sourced from refmac script # source [SearchPath TOP utils map_utils.tcl] if { ![info exists MAPOUT1] || $MAPOUT1 == "" } { set mapout_1 [SetOutputFileRoot -map]_FWT.map } else { set mapout_1 $MAPOUT1 } if { ![info exists MAPOUT2] || $MAPOUT2 == "" } { set mapout_2 [SetOutputFileRoot -map]_DELFWT.map } else { set mapout_2 $MAPOUT2 } if { $EXTEND_MAP } { CreateMap $MAPOUT_FORMAT $HKLOUT mapout_1 "2FO-1FC" \ [list F1 PHI ] [list $FWT $PHWT] \ -cover $XYZOUT $MAP_BORDER CreateMap $MAPOUT_FORMAT $HKLOUT mapout_2 "1FO-1FC" \ [list F1 PHI ] [list $DELFWT $PHDELWT] \ -cover $XYZOUT $MAP_BORDER } else { CreateMap $MAPOUT_FORMAT $HKLOUT mapout_1 "2FO-1FC" \ [list F1 PHI ] [list $FWT $PHWT] CreateMap $MAPOUT_FORMAT $HKLOUT mapout_2 "1FO-1FC" \ [list F1 PHI ] [list $DELFWT $PHDELWT] } AddOutputFile $mapout_1 MAP_DEFAULT $mapout_2 MAP_DEFAULT switch $MAPOUT_FORMAT \ O { set macro_file [SetOutputFileRoot]_refmac_omap.mac MakeOMapMacro $macro_file [list $mapout_1 $mapout_2 $mapout_2 ] \ [list 2fo pos neg ] [list 1.0 2.0 -2.0] \ [ list slate_blue red green ] 20.0 AddOutputFile $macro_file PROJECT } XtalView { set crystal_file [SetOutputFileRoot]_refmac.xtal set macro_file [SetOutputFileRoot]_refmac_xtal.script MakeXtalMacro $HKLOUT $crystal_file $macro_file \ [list $mapout_1 $mapout_2] [list Fo Fo ] [list 8 8 ] AddOutputFile $crystal_file PROJECT $macro_file PROJECT }