#=========================================================================== # # phaser_MR.script # #=========================================================================== set OUTPUT_FILE_ROOT "[SetOutputFileRoot]" if { $MR_MODE == "ROTATE" } { set RLIST_FILE "[SetOutputFileRoot].rlist" } set SOL_FILE "[SetOutputFileRoot].sol" set SUM_FILE "[SetOutputFileRoot].sum" set ANISOCORR_FILE "[SetOutputFileRoot].mtz" CreateComScript phaser_MR phaser_MR_script -ampersand # set cmd "[BinPath phaser] HKLIN $HKLIN" set cmd "[BinPath phaser]" if { $MR_MODE == "ROTATE" } { AddOutputFile $SOL_FILE PROJECT $RLIST_FILE PROJECT $SUM_FILE PROJECT } else { AddOutputFile $SOL_FILE PROJECT $SUM_FILE PROJECT } if { $MR_MODE == "ANISOTROPY" } { AddOutputFile $ANISOCORR_FILE PROJECT } set status [Execute $cmd $phaser_MR_script program_status report] # Check if any pdb or mtz files have been generated, # to add them to the output file list # Value of 100 for MAXFILES is more than Phaser default will ever be. if { ($MR_MODE != "ANISOTROPY") } { if [IfSet $TOPFILES] { set MAXFILES $TOPFILES } else { set MAXFILES 100 } for { set n 1 } { $n <= $MAXFILES } { incr n } { set PDB_FILE($n) "[SetOutputFileRoot].$n.pdb" if { [file exists $PDB_FILE($n)] } { AddOutputFile $PDB_FILE($n) PROJECT } set MTZ_FILE($n) "[SetOutputFileRoot].$n.mtz" if { [file exists $MTZ_FILE($n)] } { AddOutputFile $MTZ_FILE($n) PROJECT } } }