#
#     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 0.10
#CCP4I SCRIPT DEF amore
#CCP4I DATE  25/05/98 16:05:30
#CCP4I USER ccp4i
TITLE			_title_text		""
INPUT_FILES     	_list_of_text           HKLIN
OUTPUT_FILES    	_list_of_text           ""
VERBOSE			_logical		0
AMORE_DATABASE		_def_file		""
UPDATE_DATABASE		_logical		1
IFKNOWN			_logical		0
IFMAPOUT		_logical		0

PROCESS			_amore_process		AUTO
MODEL			_amore_model		""
NMOL			_positiveint		1

HKLIN           	_MTZ_file               ""
DIR_HKLIN       	_default_dirs           ""
HKLPCK0         	_pck_file               ""
DIR_HKLPCK0     	_default_dirs           ""
LABIN0          	_text                   "FP SIGFP"
FP0             	_mtz_label_f            ""
SIGFP0          	_mtz_label_sig          ""

MODEL_XYZIN		_pdb_file		""
DIR_MODEL_XYZIN 	_default_dirs		""
MODEL_XYZSHFT		_pdb_file		""
DIR_MODEL_XYZSHFT 	_default_dirs		""
CRYSTAL_CELL_1  	_cell_length            ""
CRYSTAL_CELL_2  	_cell_length            ""
CRYSTAL_CELL_3  	_cell_length            ""
CRYSTAL_CELL_4  	_cell_angle             ""
CRYSTAL_CELL_5  	_cell_angle             ""
CRYSTAL_CELL_6  	_cell_angle             ""
CRYSTAL_ORTH    	_positiveint            1
FILE_SPACE_GROUP	_space_group		""
TEST_SPACE_GROUP	_laue_space_group	""
LAUE_SPGP_LIST		_list_of_text		""
LAUE_SPGP_ALIAS		_list_of_text		""


N_MOLECULES		_positiveint		1

TABFUN_TABLE		_logical		1
TABFUN_HKLOUT		_logical		0
TABFUN_ROTATE		_logical		1
TABFUN_TRANSLATE	_logical		1
BREP0			_real			""
BADD0			_real			""
TABFUN_SCALE0		_real			""
TABFUN_SHANN0		_real			""

CRYSTAL_FMIN    	_real                   ""
CRYSTAL_FMAX    	_real                   ""
CRYSTAL_BADD    	_real                   ""
CRYSTAL_ORTH		_positiveint		1

ROT_SOLUTION_FILE	_mr_file		""
DIR_ROT_SOLUTION_FILE	_default_dirs		""
ROTFUN_GENERATE		_logical		1
ROTFUN_CLMN_CRYSTAL	_logical		1
ROTFUN_CLMN_MODEL	_logical		1
ROTFUN_ROTATE		_logical		1
ROTFUN_SHIFT		_logical		0
CRYSTAL_IRMAX    	_real                   ""
MODEL_FMIN		_real			""
MODEL_FMAX		_real			""
ROTATE_MODEL_BADD	_real			""
ROTATE_MODEL_IRMAX	_real			""
MODEL_IRMAX		_positivereal		""
RESOLUTION_MIN		_positivereal		"15.0"
RESOLUTION_MAX		_positivereal		""
MTZ_RESOLUTION_MAX	_positivereal		""
SORT_RESOLUTION_MAX	_positivereal		""
TABLE_RESOLUTION_MAX	_positivereal		""

ROTFUN_ROTATE_MODE	_amore_rotate_mode	CROSS
ROTFUN_NPIC		_positiveint		20
ROTFUN_PKLIMC		_fraction		0.5
ROTFUN_PKLIMS		_fraction		0.2
BESLIM			_logical		0
BESLIM_MIN		_real			""
BESLIM_MAX		_real			""
ROTFUN_STEP		_positivereal		""
ROTFUN_BMAX		_positivereal		""
ROTFUN_NSR1R		_positiveint		""
ROTFUN_NSR2R		_positiveint		""

TRAN_SOLUTION_FILE	_mr_file		""
DIR_TRAN_SOLUTION_FILE		_default_dirs		""
TRAFUN_MODE		_amore_translate_mode	CB
TRAFUN_NPIC		_positiveint		20
TRAFUN_PKLIM		_fraction		0.5
N_MOL_ASSYM		_positiveint		1
N_SOLFIL		_positiveint		0
SOLFIL,0		_mr_file		""
DIR_SOLFIL,0		_default_dirs		""

MODEL_LIST		_text			""
SF_TABLE_LIST		_text			""

REFSOLUTION		_amore_refsolution	"all parameters"
FITFUN_NITER		_positiveint		""
FITFUN_CONV		_real			""

MODEL_MODE		_text			""
MODEL_HKLIN 		_MTZ_file		""
DIR_MODEL_HKLIN 	_default_dirs		""
MODEL_FC		_text			""
MODEL_PHIC		_text			""
MODEL_TITLE		_text			""
MODEL_SF_TABLE		_tab_file		""
DIR_MODEL_SF_TABLE	_default_dirs		""
MODEL_XYZSHFT		_pdb_file		""
MODEL_CELL_1		_positivereal		""
MODEL_CELL_2		_positivereal		""
MODEL_CELL_3		_positivereal		""
MODEL_COM_1		_positivereal		""
MODEL_COM_2		_positivereal		""
MODEL_COM_3		_positivereal		""
MODEL_EULER_1		_real			""
MODEL_EULER_2		_real			""
MODEL_EULER_3		_real			""
XYZIN,0			_pdb_file		""
DIR_XYZIN,0		_default_dirs		""
SF_TABLE,0		_tab_file		""
DIR_SF_TABLE,0		_default_dirs		""
MOD_TITLE,0		_text			""

SORTING_NR		_positiveint		""
TABLING_MI    		_positiveint		""
TABLING_MR   		_positiveint		""
TABLING_MC    		_positiveint		""
HKLTABLING_MC  		_positiveint		""
ROTING_MI    		_positiveint		""
ROTING_MR    		_positiveint		""
ROTING_MC  		_positiveint		""
ROTING_MD    		_positiveint		""
TRAING_NR     		_positiveint		""
TRAING_MEQ    		_positiveint		""
TRAING_MRT  		_positiveint		""
TRAING_MT  		_positiveint		""
TRAING_MR  		_positiveint		""
FITING_MEQ   		_positiveint		""
FITING_MT    		_positiveint		""
FITING_NR  		_positiveint		""
FITING_NP  		_positiveint		""