#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Library.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4i_cvs_Id $Id$
#CCP4I VERSION CCP4Interface 1.0.2
#CCP4I SCRIPT DEF ncsref
#CCP4I DATE  25/09/99 16:05:30
#CCP4I USER lizp

TITLE			_title_text		""

INPUT_FILES		_list_of_text		"HKLIN XYZIN"
OUTPUT_FILES            _list_of_text		"HKLOUT MASKOUT XYZOUT"

HKLIN			_MTZ_file		""
DIR_HKLIN		_default_dirs           ""
HKLOUT			_MTZ_file		""
DIR_HKLOUT		_default_dirs           ""
XYZIN			_pdb_file		""
DIR_XYZIN		_default_dirs		""
MASKOUT			_mask_file		""
DIR_MASKOUT		_default_dirs           ""
XYZOUT			_pdb_file		""
DIR_XYZOUT		_default_dirs		""

NCHAINS			_positiveint		0
CHAIN,0			_chain_id		""
CHAIN_RES_1,0		_res_id			""
CHAIN_RES_2,0		_res_id			""
NONX_RESTRAINT		_refmac_nonx_code	1

#N_NONX                  _positiveint            0
#N_NONX_CHN,0            _positiveint            0
#NONX_CHN,0              _chain_id_menu          ""
#N_NONX_SPANS,0          _positiveint            0
#NONX_SPANS_RES1,0       _residue_id             ""
#NONX_SPANS_RES2,0       _residue_id             ""
#NONX_SPANS_CODE,0       _refmac_nonx_code       4


INIT_PHASE		_logical		0
FP			_mtz_label_f		""
SIGFP			_mtz_label_sig		""
PHIO			_mtz_label_phi		""
FOMO			_mtz_label_w		""

LABIN  	        	_text           	"FP SIGFP PHIB FOM"
PHIB			_mtz_label_phi		PHIDMAVER
FOM			_mtz_label_w		FOMDMAVER

SOLVENT_FRAC		_fraction		""
RADIUS			_positivereal		5.0

RESIDUAL        	_text        		MLKF
REFINE_TYPE     	_text     		REST
MINIMISATION    	_text    		CGMAT
WEIGHTING_METHOD  	_text			MATRIX
MATRIX_WEIGHT		_text			0.5
MONI_LEVEL		_text			FEW

INPUT_PHASE     	_text			PHASE
PHASE_SCBLUR    	_real                   0.7
PHASE_BBLUR     	_real                   15.0

DAMP			_logical		1
DAMP_P			_real			0.5
DAMP_B			_real			0.5

BULK_SOLVENT_SCALING    _text         		BULK
SCALING_ANISO           _logical                1
SCALING_IF_FIXB         _logical                1
SCALING_FIXB_BBULK      _positivereal           70.0
SCALING_FIXB_SCBULK     _positivereal           -0.75
B_REFINEMENT            _logical        	1
B_REFINEMENT_MODE       _refmac_b_refinement    ISOT

NCYCLES                	_positiveint    	5
EXTERNAL_NCYCLES        _positiveint    	2

EXCLUDE_FREER           _logical        	1
EXCLUDE_FREER_VALUE     _int            	0
FREE                    _mtz_label_freer     	""

IF_MAPOUT		_logical		1
MAPOUT_FORMAT		_map_format		MAP_DEFAULT