#CCP4I VERSION CCP4Interface 1.3.8
#CCP4I SCRIPT DEF phaser_ELLG
#CCP4I DATE 26/11/02
#CCP4I USER ameb

#lists for ccp4 input and output files, in scripts/phaser_ELLG.script
INPUT_FILES                     _list_of_text                  ""
OUTPUT_FILES                    _list_of_text                  ""

#CELL
TOG_CELL                        _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                    ""

#COMPOSITION
SCATTERING                      _composition_option            COMPONENT
#component
N_COMPONENT                     _positiveint                   1
PROTDNA,0                       _protnucleic                   PROTEIN
PROTDNA,1                       _protnucleic                   PROTEIN
COMP_OPTION,0                   _mwseqnres_option              FASTA
COMP_OPTION,1                   _mwseqnres_option              FASTA
MW,0                            _positiveint                   ""
MW,1                            _positiveint                   ""
ASYM,0                          _positiveint                   1
ASYM,1                          _positiveint                   1
COMP_FILE,0                     _seq_file                      ""
COMP_FILE,1                     _seq_file                      ""
DIR_COMP_FILE,0                 _default_dirs                  ""
DIR_COMP_FILE,1                 _default_dirs                  ""
COMP_NRES,0                     _positiveint                   ""
COMP_NRES,1                     _positiveint                   ""
#solvent
SCATTERING_SOLVENT              _positivereal                  ""

#DEBUG
TOG_VERBOSE_EXTRA               _logical                       0

#ELLG
TOG_USE_ELLG                    _logical                       0                 
USE_ELLG                        _onoff                         ON                 
ELLG_TARGET                     _real                          120             

#ENSEMBLE
N_PDB,0                         _positiveint                   1
XYZIN,0                         _pdb_file                      ""
DIR_XYZIN,0                     _default_dirs                  ""
XYZIN,1_1                       _pdb_file                      ""
DIR_XYZIN,1_1                   _default_dirs                  ""
RMS_OPTION,0                    _rmsid_option                  IDENT
RMS_OPTION,1_1                  _rmsid_option                  IDENT
RMS,0                           _real                          ""
RMS,1_1                         _real                          ""
N_ENSEMBLE                      _positiveint                   1
ENSEMBLE_ID,0                   _text                          ""
ENSEMBLE_ID,1                   _text                          ensemble1
TOG_HETATM,0                    _logical                       0
TOG_HETATM,1                    _logical                       0
ENSEMBLE_MENU_LIST              _ensemble_menu                 ""
ENSEMBLE_OPTION,0               _ensemble_option               PDB
ENSEMBLE_OPTION,1               _ensemble_option               PDB
ENSEMBLE_PROTMW,0               _positiveint                   ""
ENSEMBLE_NUCLMW,0               _positiveint                   ""
HKLIN,0                         _MTZ_file                      ""
HKLIN,1                         _MTZ_file                      ""
DIR_HKLIN,0                     _default_dirs                  ""
DIR_HKLIN,1                     _default_dirs                  ""
HKLIN,1_1                       _MTZ_file                      ""
DIR_HKLIN,1_1                   _default_dirs                  ""
ENSEMBLE_LABIN,0                _text                          "FC PHIC"
FC,0                            _mtz_label_f                   ""
PHIC,0                          _mtz_label_phi                 ""
ENSEMBLE_EXT_X,0                _real                          ""
ENSEMBLE_EXT_Y,0                _real                          ""
ENSEMBLE_EXT_Z,0                _real                          ""
ENSEMBLE_RMS_MTZ,0              _positivereal                  ""
ENSEMBLE_CEN_X,0                _real                          ""
ENSEMBLE_CEN_Y,0                _real                          ""
ENSEMBLE_CEN_Z,0                _real                          ""

#HKLIN
HKLIN_MAIN                      _MTZ_file                      ""
DIR_HKLIN_MAIN                  _default_dirs                  ""
F                               _mtz_label_f                   ""
SIGF                            _mtz_label_sig                 ""
I                               _mtz_label_j                   ""
SIGI                            _mtz_label_sig                 ""
PHI                             _mtz_label_phi                 ""
FOM                             _mtz_label_w                   ""
TOG_INTENSITY_OPTION            _logical                       1

#LABIN
LABIN_MAIN                      _text                          "F SIGF"

#RESOLUTION
TOG_RESOLUTION                  _logical                       0
RESOLUTION_DMAX                 _positivereal                  ""
RESOLUTION_DMIN                 _positivereal                  ""
RESOLUTION_DMIN_MR              _positivereal                  "" 
TOG_RESOLUTION_AUTO             _logical                       0
RESOLUTION_AUTO_DMIN            _positivereal                  ""

#ROOT
ROOT                            _text                          ""
FILENAME_ROOT                   _text                          ""

#SOLPARAMETERS
TOG_SOLP                        _logical                       ""
TOG_BULK_SOLP                   _logical                       ""
SOLP_FSOL                       _real                          0.69
SOLP_BSOL                       _real                          380
SOLP_SIGA_MIN                   _positivereal                  0.1
SOLP_BULK_FSOL                  _real                          0.35
SOLP_BULK_BSOL                  _real                          45
SOLP_BULK_USE                   _onoff                         OFF 

#SPACEGROUP
TOG_SPACEGROUP                  _logical                       0
FILE_SPACEGROUP                 _space_group                   ""
TEST_SPACEGROUP                 _laue_space_group              ""
SPACGROUP_NUMBER                _space_groups                  ""

#TITLE
TITLE                           _title_text                    ""

#VERBOSE
TOG_VERBOSE                     _logical                       0
