#CCP4I VERSION CCP4Interface 0.7
#CCP4I SCRIPT DEF arp_solvent 
#CCP4I DATE  16/01/98 16:05:30
#CCP4I USER Tassos

WEIGHT_MODE     _weight_mode            AUTO

INPUT_FILES     _list_of_text           "HKLIN "

LABIN           _text                   "F1 SIG1 PHI W"

HKLIN           _MTZ_file               ""
DIR_HKLIN       _default_dirs           ""
XYZIN         _pdb_file               ""
DIR_XYZIN     _default_dirs           ""
XYZOUT         _pdb_file               ""
DIR_XYZOUT     _default_dirs           ""
EXTRA_LIBRARY		_lib_file		""
DIR_EXTRA_LIBRARY	_default_dirs		""
TLSIN		_tls_file		""
DIR_TLSIN	_default_dirs		""
WILSON_LOG      _log_graph_file         ""
DIR_WILSON_LOG  _default_dirs           ""

CHECK_WILSON    _logical                0

PARFILE         _pir_file               ""
DIR_PARFILE     _default_dirs           ""

FP              _mtz_label_f            ""
SIGFP           _mtz_label_sig          ""

DATA_RESOLUTION         _resolution     ""
TITLE                   _title_text     "Solvent building"
SPACE_GROUP             _space_group    ""
CELL_1                  _cell_length    ""
CELL_2                  _cell_length    ""
CELL_3                  _cell_length    ""
CELL_4                  _cell_angle     ""
CELL_5                  _cell_angle     ""
CELL_6                  _cell_angle     ""
WILSON_B 		_positivereal   ""
SOLVENTC                _positivereal   ""
XYZLIM_1                _real           ""
XYZLIM_2                _real           ""
XYZLIM_3                _real           ""
XYZLIM_4                _real           ""
XYZLIM_5                _real           ""
XYZLIM_6                _real           ""
XYZLIM                  _text           ""

EXCLUDE_RESOLUTION      _logical        0
EXCLUDE_RESOLUTION_MIN  _positivereal   ""
EXCLUDE_RESOLUTION_MAX  _positivereal   ""
RESOL			_text           ""

SMALL_CYCLES	        _positiveint    20 

LIBINSHOW		_logical 	0
TLSINSHOW               _logical        0

TLSONOFF		_logical        0
ADDATOM_SIGMA		_positivereal	3.4
REMATOM_SIGMA		_positivereal	1.0

NCYCLES			_positiveint	1

EXCLUDE_FREER           _exclude_freer  N
FREE                    _mtz_label_i    ""

SCALE 			_scale          SIMPLE
SCANIS 			_scanis		Y

REFMAC_REF_SET          _refmac_ref_set N
WMAT			_positivereal   0.5
WEIGHT                  _text           ""
WEIGHTVAL               _text           ""


# Only defined upon running for the arp_wapr.sh script
# not really needed for the interface to function !

SCALEOPT                _text           ""
FREELABIN               _text           ""
SCALML                  _text           ""
