1    #CCP4I VERSION CCP4Interface 0.10
2    #CCP4I SCRIPT DEF demo3
3    #CCP4I DATE  25/06/97 16:05:30
4    #CCP4I USER lizp
5    
6    TITLE		_title_text		""
7    REFINE_TYPE	_demo_refine_type	FULL
8    INPUT_PHASE     _demo_input_phase	NO
9    
10   INPUT_FILES	_list_of_text		"HKLIN XYZIN"
11   OUTPUT_FILES	_list_of_text		"HKLOUT XYZOUT"
12   
13   HKLIN  		_MTZ_file               ""
14   DIR_HKLIN	_default_dirs		""
15   HKLOUT 		_MTZ_file               ""
16   DIR_HKLOUT	_default_dirs		""
17   
18   XYZIN           _pdb_file               ""
19   XYZOUT          _pdb_file               ""
20   DIR_XYZIN  	_default_dirs           ""
21   DIR_XYZOUT 	_default_dirs           ""
22   
23   LABIN		_text			"FP SIGFP"
24   FP        	_mtz_label_f		""
25   SIGFP      	_mtz_label_sig		""
26   PHIB		_mtz_label_phi		""
27   FOMB		_mtz_label_w            ""
28   
29   NCYCLES			_positiveint	5
30   EXCLUDE_RESOLUTION      _logical        0
31   EXCLUDE_RESOLUTION_MIN  _positivereal   ""
32   EXCLUDE_RESOLUTION_MAX  _positivereal   ""
33   
34   NRESTRAINTMODES		_positiveint		1
35   RESTRAINT_NAME,0	_text			""
36   BOND_RESTRAINT,0	_real			""
37   ANGLE_RESTRAINT,0	_real			""
38   RESTRAINT_NAME,1	_text			normal
39   BOND_RESTRAINT,1	_real			0.5
40   ANGLE_RESTRAINT,1	_real			0.5
41   
42   RESTRAINT_MENU		_list			"normal"
43   RESTRAINT_ALIAS		_list			"normal"
44   
45   NRANGES			_positiveint		0
46   CHAIN,0			_chain_id		""
47   FIRST_RES,0		_res_id			""
48   LAST_RES,0		_res_id			""
49   RESTRAIN_MODE,0		_demo_restrain_mode	normal
50   
51   SPACE_GROUP     	_space_group    ""
52   CELL_1        		_cell_length   	""
53   CELL_2        		_cell_length   	""
54   CELL_3        		_cell_length 	""
55   CELL_4        		_cell_angle   	""
56   CELL_5        		_cell_angle   	""
57   CELL_6        		_cell_angle   	""
58