# # 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 $Id$ #=========================================================================== # # sftools.script # #=========================================================================== # Generate Dano option requires special treatment # because the script needs to contain special characters e.g. double quotes # and trailing minus signs which cannot be handled by CreateComScript # as of version 1.3.1 if { $SF_ACTION == "GETDANO" } { set sftools_script [GetTmpFileName -ext com] WriteFile $sftools_script "mode batch read \"$HKLIN\" mtz CALC D COL \"$DANO\" = COL \"$FPLUS\" COL \"$FMINUS\" - CALC Q COL \"$SIGDANO\" = COL \"$SIGFPLUS\" 2 ** COL \"$SIGFMINUS\" 2 ** + 0.5 ** select all write \"$HKLOUT\" mtz EXIT YES\n" } else { # For other actions create script in the conventional way CreateComScript sftools sftools_script -nocontinue } set status [Execute [BinPath sftools] $sftools_script program_status report]