#CCP4I VERSION CCP4Interface 0.10
#CCP4I SCRIPT DEF buccaneer
#CCP4I DATE  26/09/07 00:00:00
#CCP4I USER cowtan

TITLE		_title_text		""

INPUT_FILES     _list_of_text           "HKLINwrk"
OUTPUT_FILES    _list_of_text           "XYZOUT"

XYZINref  	_pdb_file               ""
DIR_XYZINref	_default_dirs		""

HKLINref  	_MTZ_file               ""
DIR_HKLINref	_default_dirs		""

FPref           _mtz_label_f            "FP.F_sigF.F"
SIGFPref        _mtz_label_sig          "FP.F_sigF.sigF"
HLAref          _mtz_label_hl           "FC.ABCD.A"
HLBref          _mtz_label_hl           "FC.ABCD.B"
HLCref          _mtz_label_hl           "FC.ABCD.C"
HLDref          _mtz_label_hl           "FC.ABCD.D"
REFUSER		_logical		0
REFCODE		_ref_structureid	"1tqw"

XYZINwrk  	_pdb_file               ""
DIR_XYZINwrk	_default_dirs		""

SEQINwrk  	_seq_file               ""
DIR_SEQINwrk	_default_dirs		""

HKLINwrk  	_MTZ_file               ""
DIR_HKLINwrk	_default_dirs		""

FPwrk        	_mtz_label_f		""
SIGFPwrk      	_mtz_label_sig		""
HLAwrk		_mtz_label_hl		""
HLBwrk		_mtz_label_hl		""
HLCwrk		_mtz_label_hl		""
HLDwrk		_mtz_label_hl		""
PHIwrk          _mtz_label_phi		""
FOMwrk          _mtz_label_w		""
FMAPwrk         _mtz_label_f	        ""
PMAPwrk         _mtz_label_phi	        ""
FREEwrk         _mtz_label_freer        ""

XYZINseq  	_pdb_file               ""
DIR_XYZINseq	_default_dirs		""

XYZOUT 		_pdb_file               ""
DIR_XYZOUT	_default_dirs		""

DOFIND		_logical		1
DOGROW		_logical		1
DOJOIN		_logical		1
DOLINK		_logical		1
DOSEQNC		_logical		1
DOCORCT		_logical		1
DOFILTR		_logical		1
DONCSRB		_logical		1
DOPRUNE		_logical		1
DOBUILD		_logical		1

DOFAST		_logical		0
DOANIS		_logical		0
DOSEMET		_logical		0
DOFIXPOS	_logical		0

USEFREE         _logical                0
USEFMAP         _logical                0
USEPHIW         _logical                0
USEXYZIN	_logical                0
USEXYZSQ	_logical                0

USECORR		_logical		0

RESOLUTION_MAX  _positivereal           2.0

NCYCLE		_positiveint		3
NFRAGS		_positiveint		500
NFRAGR		_positiveint		20

RAMAFLT		_ramachan_filter	"all"

SEQREL		_seq_reliability	0.95
NEWRESNM	_text			"UNK"