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

ARP_MODE	_arp_mode		WARPNTRACEPHASES
REF_MODE	_ref_mode		REFML
PHASE_RESTRAIN  _phase_restrain		N
WEIGHT_MODE     _weight_mode            AUTO

DATAKEEP_MODE   _datakeep_mode          WORLD 
REMOTE_JOB      _logical                 0
USER_EMAIL      _text                   ""

INPUT_FILES     _list_of_text           "HKLIN "

LABIN           _text                   "F1 SIG1 PHI W"

HKLIN           _MTZ_file               ""
DIR_HKLIN       _default_dirs           ""
MODELIN         _pdb_file               ""
DIR_MODELIN     _default_dirs           ""
COMPARETO       _pdb_file               ""
DIR_COMPARETO   _default_dirs           ""
HEAVYIN         _pdb_file               ""
DIR_HEAVYIN     _default_dirs           ""
SEQIN           _pir_file               ""
DIR_SEQIN       _default_dirs           ""
WILSON_LOG      _log_graph_file         ""
DIR_WILSON_LOG  _default_dirs           ""

TOGGLE_COMPTO   _logical                0

CHECK_WILSON    _logical                0
TWIN            _logical                0
LOOPS           _logical                1
SAD             _logical                0

RESTRAINTS      _positiveint            "1"
USE_COND        _logical                1
FORCE_COND      _logical                0

FAKE_DATA       _logical                0
NCS_RESTRAINTS  _logical                1
NCS_EXTENSION   _logical                1

PARFILE         _pir_file               ""
DIR_PARFILE     _default_dirs           ""

FP              _mtz_label_f            ""
SIGFP           _mtz_label_sig          ""
FBEST           _mtz_label_f            ""
PHIB            _mtz_label_phi          ""
FOM             _mtz_label_w            ""
HLA             _mtz_label_hl           ""
HLB             _mtz_label_hl           ""
HLC             _mtz_label_hl           ""
HLD             _mtz_label_hl           ""
FPP             _mtz_label_f            ""
SIGFPP          _mtz_label_sig          ""
FPM             _mtz_label_f            ""
SIGFPM          _mtz_label_sig          ""

ANO_OPTION		_ano_option	LAMBDA
SCAT_LAMBDA_SAD         _positivereal                         "0.992"
SCAT_FP_SAD             _negativereal                         "-7.0"
SCAT_FDP_SAD            _positivereal                         "6.5"
SCAT_ATOM		_text				      "SE"
SADCARD			_text				      ""

DATA_RESOLUTION         _resolution     ""
TITLE                   _title_text     "automated model building starting from experimental phases"
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    5 
BIG_CYCLES	        _positiveint    10
TOTAL_CYCLES            _positiveint    50

NRES			_positiveint	""
NMOL			_positiveint	1

SEQINSHOW               _logical        1
IS_SEMET                _logical        0
PHIBFOMSHOW		_logical	1

KEEP_MODEL		_logical	1
SKIP_BUILD		_logical	0
SKIP_CYCLES             _positiveint    0
BUILD_SIDE		_logical	1
SIDE_AFTER	        _positiveint	0
MULTITRACE		_positiveint 	5
ADDATOM_SIGMA		_positivereal	3.2
REMATOM_SIGMA		_positivereal	1.0
UP_UPDATE		_positiveint	1
FLATTEN			_logical	0
FREEBUILD		_logical	0
NMODELS			_positiveint    1
WEIGHTED_FP             _logical        0
SOLVENT                 _logical        1
RIDGE_RESTRAINTS        _logical        0

NCYCLES			_positiveint	1

EXCLUDE_FREER           _exclude_freer  N
FREE                    _mtz_label_i    ""
ICOL                    -logical        0

SCALE 			_scale          SIMPLE 
SCANIS 			_scanis		Y

PHASE_BLUR              _positivereal   1.0

DAMP_P                  _positivereal   1.0
DAMP_B                  _positivereal   1.0
DAMP                    _text           ""
REFMAC_REF_SET          _refmac_ref_set N
WMAT			_positivereal   0.5
WEIGHT                  _text           ""
WEIGHTVAL               _text           ""

REFMAX			_text		"MLKF"

RANDTIMES               _randtimes     	0
RANDON1			_logical       	0
RANDON2			_logical       	0	
RANDON3			_logical       	0
RANDON11		_logical       	0
RANDON22		_logical       	0	
RANDON33		_logical       	0
RAND1			_positiveint	10
RAND2			_positiveint	20
RAND3			_positiveint	30
RANDSHIFT1		_real		0.5
RANDSHIFT2 	       	_real          	0.5
RANDSHIFT3 	       	_real          	0.5
BCUT1			_real		2.0
BCUT2			_real		2.0
BCUT3			_real		2.0

KEEP_JUNK		_logical	0

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

SCALEOPT                _text           ""
CYCSKIP                 _positiveint    0
SIDE                    _int            0
FREELABIN               _text           ""
SCALML                  _text           ""
# WHICHTRACE              _logical        1
ALBE                    _logical        0

PHASELABIN      _text			""
PHASEREF	_text			""