#
#     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 sfall
#CCP4I DATE  15/05/99 16:05:30
#CCP4I USER lizp

TITLE		_title_text		""
INPUT_FILES     _list_of_text           HKLIN
OUTPUT_FILES    _list_of_text           HKLOUT

SFALL_MODE	_text			SFCALC
SFALL_SFCALC_IN	_sfall_sfcalc_mode 	XYZIN
SFALL_SFCALC_HKLIN		_logical	1
SFALL_SFCALC_SCALE		_logical	1
#COORDS_OUTPUT_MODE	_sfall_coords_output 	HKL
SFALL_COLUMNS_OUT _sfall_columns_out    "FPONLY"
ALLIN           _logical                0

HKLIN		_MTZ_file		""
DIR_HKLIN	_default_dirs		""
HKLOUT          _MTZ_file               ""
DIR_HKLOUT      _default_dirs           ""
XYZIN    	_pdb_file               ""
DIR_XYZIN 	_default_dirs           ""
MAPIN           _map_file             	""
DIR_MAPIN       _default_dirs		""
HKLOUT		_MTZ_file		""
DIR_HKLOUT	_default_dirs		""

LABIN		_text			"FP SIGFP FREE"
FP              _mtz_label_f            ""
SIGFP           _mtz_label_sig          ""
FREE            _mtz_label_freer        ""
LABOUT		_text			"FC PHIC"
FC		_mtz_label_out		FCalc
PHIC		_mtz_label_out		PHICalc

IFCELL		_logical			0
CELL_1          _cell_length               ""
CELL_2          _cell_length               ""
CELL_3          _cell_length               ""
CELL_4      	_cell_angle                ""
CELL_5       	_cell_angle                ""
CELL_6      	_cell_angle                ""
GRID_1		_positiveint		""
GRID_2		_positiveint		""
GRID_3		_positiveint		""
SFALL_RESOLUTION	_logical	0
RESOLUTION_MIN	_resolution		""
RESOLUTION_MAX	_resolution		""
SPACE_GROUP	_space_group		""
SFALL_VDWR	_positivereal		2.5
SFALL_BADD	_real			0.0

@ [FileJoin [GetEnvPath CCP4I_TOP] tasks harvest.def]
