#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs, Francois Remacle
#
#     This code is distributed under the terms and conditions of the
#     CCP4 licence agreement as `Part 1' (Annex 2) software.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#======================================================================
#
# dyndom script
#
#======================================================================
  set cmdfile [GetTmpFileName]
    
  set commands "title=ccp4idyn\nfilename1=$XYZIN\n"
  if {"$CHAIN1" != ""} {
    append commands "chain1id=$CHAIN1\n"
    }
  append commands "filename2=$XYZIN2\n"
  if {"$CHAIN1" != ""} {
    append commands "chain2id=$CHAIN2\n"
  }
  append commands "clusters=$CLUSTERS\niterations=$ITERATIONS\n\
                   window=$SLIDEWINDOW\ndomain=$DOMAIN\nratio=$RATIO\n"
                
  WriteFile $cmdfile $commands
  
  set cmd "[BinPath dyndom] $cmdfile"
      
  set status [Execute "$cmd" "" program_status report]
  
  MoveFile ccp4idyn_pdb $XYZOUT
  MoveFile ccp4idyn_rotvecs $XYZOUT2
  MoveFile ccp4idyn_dihedral $FILE
  MoveFile ccp4idyn_rasscript $FILE1
  MoveFile ccp4idyn_info $INFO
  
  if { [regexp ROTVEC $DOMODE] } {
      set RASARGS "$XYZOUT2 -script $FILE1"
    } elseif { [regexp PROT $DOMODE] } {
      set RASARGS "$XYZOUT -script $FILE1"
    } else {
      set RASARGS ""
    }