#=========================================================================== # # phaser_ATOM.script # #=========================================================================== set OUTPUT_FILE_ROOT "[SetOutputFileRoot]" CreateComScript phaser_ATOM phaser_ATOM_script -ampersand set cmd "[BinPath phaser]" set status [Execute $cmd $phaser_ATOM_script program_status report] set SUM_FILE "[SetOutputFileRoot].sum" if { [file exists $SUM_FILE] } { AddOutputFile $SUM_FILE PROJECT } set SOL_FILE "[SetOutputFileRoot].sol" if { [file exists $SOL_FILE] } { AddOutputFile $SOL_FILE PROJECT } # 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. # Default is 1 (probably) if [IfSet $XYZOUT_NPDB] { set MAXFILES $XYZOUT_NPDB } 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 } }