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

TITLE		_title_text		""

INPUT_FILES     _list_of_text           "HKLINwrk SEQINwrk"
OUTPUT_FILES    _list_of_text           "XYZOUT"

PHASINGSRC	_phasing_source		"EP"
MRMODELUSAGE	_mr_model_usage		"SEED"


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        ""

XYZINmr  	_pdb_file               ""
DIR_XYZINmr	_default_dirs		""

XYZINseq  	_pdb_file               ""
DIR_XYZINseq	_default_dirs		""

XYZOUT 		_pdb_file               ""
DIR_XYZOUT	_default_dirs		""

DOANIS		_logical		1
DOSEMET		_logical		0
DOFIXPOS	_logical		1
DOFAST		_logical		1

USEFREE 	_logical                1
USEFMAP 	_logical                0
USEPHIW 	_logical                0
USEXYZIN	_logical                0
USEXYZSQ	_logical                0
USEKNOWN	_logical		0
USEINFLT	_logical		0
USEJOBS		_logical		0

NCYCLE		_positiveint		5
NJOBS		_positiveint		2


BUC_NCYCLE_0	_positiveint		3
BUC_USECORR_0	_logical		0
BUC_SEQREL_0	_seq_reliability	0.95

BUC_NCYCLE_N	_positiveint		2
BUC_USECORR_N	_logical		1
BUC_SEQREL_N	_seq_reliability	0.95

BUC_RESOLN_MAX  _positivereal           2.0
BUC_NEWRESNM	_text			"UNK"
BUC_KNOWN_ID	_text			"/A/*/*"
BUC_KNOWN_RAD	_positivereal		0.0
BUC_MODEL_INDEX _positiveint		0  

BUC_INFLTSIG    _positivereal           3.0
BUC_MRFLTSIG    _positivereal           3.0

REF_TWIN	_logical		0
REF_MXAUTO	_logical		1
REF_MXWGHT	_positivereal		0.1
REF_MLHL	_logical		1
REF_MLHL_MR	_logical		0
REF_HLCOLS	_logical		0
REF_HLAwrk	_mtz_label_hl		""
REF_HLBwrk	_mtz_label_hl		""
REF_HLCwrk	_mtz_label_hl		""
REF_HLDwrk	_mtz_label_hl		""

N_BUC_KEYS	_positiveint            0
BUC_KEYS,0	_title_text		""

N_REF_KEYS	_positiveint            0
REF_KEYS,0	_title_text		""