#
#     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
#CCP4I SCRIPT DEF shelx
#CCP4I DATE  25/06/99 16:05:30
#CCP4I USER lizp

TITLE       	_title_text     	""
INPUT_FILES 	_list_of_text		HKLIN
OUTPUT_FILES	_list_of_text		""

SHELX_PROGRAM	_text			shelx
SHELX_MODE	_shelx_mode		PATTERSON

INPUT_FORMAT	_shelx_input_format	SHELX
HKLIN  		_hkl_file               ""
DIR_HKLIN  	_default_dirs           ""
MTZIN  		_MTZ_file               ""
DIR_MTZIN  	_default_dirs           ""
SHELX_HKLF	_shelx_hklf		4

DATA_TYPE	_shelx_data_type	isomorphous
LABIN		_text			""
FP        	_mtz_label_f		""
SIGFP      	_mtz_label_sig		""
FPH             _mtz_label_f            ""
SIGFPH          _mtz_label_sig            ""
DP              _mtz_label_d            ""
SIGDP           _mtz_label_dw            ""


SPACE_GROUP     _space_group    	""
LATTICE		_shelx_lattice		primitive
N_SYMM		_positiveint		0
SYMM,0		_text			""

CELL_LAMBDA	_positivereal		1.54178
CELL_1		_cell_length		""
CELL_2		_cell_length		""
CELL_3		_cell_length		""
CELL_4		_cell_angle		""
CELL_5		_cell_angle		""
CELL_6		_cell_angle		""

CELL_ERR_1	_positivereal		0.001
CELL_ERR_2	_positivereal		0.001
CELL_ERR_3	_positivereal		0.001
CELL_ERR_4	_positivereal		0.0
CELL_ERR_5	_positivereal		0.0
CELL_ERR_6	_positivereal		0.0

CELL_Z		_positiveint		1
#N_SFAC		_positiveint		1
#SFAC,0		_text			""
#UNIT,0		_positiveint		""
#SFAC,1          _text                   N
#UNIT,1          _positiveint            200
SFAC_LIST	_text			""
UNIT_LIST	_text			""
NHEAVY		_positiveint		4
HEAVY_TYPE	_text			AU

OMIT_S		_real			0.0
EXCLUDE_RESOLUTION	_logical	0
EXCLUDE_RESOLUTION_MIN	_positivereal           0.0
EXCLUDE_RESOLUTION_MAX	_positivereal           1000.0
EXCLUDE_SIGP            _logical                0
EXCLUDE_SIGP_FACTOR     _real                   3.0
EXCLUDE_SIGH            _logical                0
EXCLUDE_SIGH_FACTOR     _real                   3.0
EXCLUDE_DIFF            _logical                0
EXCLUDE_DIFF_LIMIT      _real                   0.0
EXCLUDE_FPMAX          _logical                0
EXCLUDE_FPMAX_MAX      _real                   0.0
EXCLUDE_FPHMAX          _logical                0
EXCLUDE_FPHMAX_MAX      _real                   0.0
EXCLUDE_FREER           _logical                0
EXCLUDE_FREER_LABEL     _mtz_label_freer        ""
EXCLUDE_FREER_VALUE     _int                    0

TRY_NVECTORS		_positiveint		""
INPUT_NVECT		_positiveint		0
VECT_X,0		_real			""
VECT_Y,0		_real			""
VECT_Z,0		_real			""

TREF_NP			_int			""
TREF_NE			_int			""
TREF_KAPSCAL		_real			""