#
#     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 0.2
#CCP4I SCRIPT DEF oasis
#CCP4I DATE  25/06/97 16:05:30
#CCP4I USER pjx

TITLE		   _title_text		     "SAD phasing"
INPUT_FILES     _list_of_text           ""
OUTPUT_FILES    _list_of_text           ""



OASIS_MODE      _oasis_mode                "SAD"

HKLIN           _MTZ_file                  ""
DIR_HKLIN       _default_dirs              ""
SPACEGROUP      _space_group               ""
CELL_A          _cell_length               ""
CELL_B          _cell_length               ""
CELL_C          _cell_length               ""
CELL_ALPHA      _cell_angle                ""
CELL_BETA       _cell_angle                ""
CELL_GAMMA      _cell_angle                ""
MOD_MOD         _modify_mode               "M_FOM"

FP              _mtz_label_f               ""
SIGFP           _mtz_label_sig             ""
FOMM           _mtz_label_w             ""
DANO              _mtz_label_d               ""
SIGDANO           _mtz_label_sig             ""
FPH              _mtz_label_d               ""
SIGFPH           _mtz_label_sig             ""
MAP_FM     _logical                   1
MAP_FP     _logical                   0
MER     _logical                   0
C_FOM     _logical                   0
DM     _logical                   0
MOD     _logical                   1
KEEP_MOD     _logical                   0


COMPARE_PHI     _logical                   0
PHIC            _mtz_label_phi             ""
HKLOUT         _MTZ_file                  ""
DIR_HKLOUT     _default_dirs              ""


RES           _logical                   0
RES_L         _real                 ""
RES_H        _real                 ""


CELL_CON    _cell_con                    "FILE"

SEQIN       _pir_file                    ""
DIR_SEQIN    _default_dirs              ""                      
CELL_CON_NUM   _positiveint              ""
HA             _oasis_ha_entry           "HA_PDB"

HA_FILE_PDB       _pdb_file                    ""
DIR_HA_FILE_PDB    _default_dirs               ""  

HA_FILE_OAS       _any_file                    ""
DIR_HA_FILE_OAS    _default_dirs               ""
HA_M               _logical                   0

HA_NUM       _positiveint              0
HA_NUM_P,0   _positiveint              1
HA_NUM_P,1   _positiveint              1
HA_NUM_P,2   _positiveint              1
HA_TYPE,0     _text                     ""
HA_X,0		_real			""
HA_Y,0		_real			""
HA_Z,0		_real			""
HA_OCC,0		_positivereal		""
HA_B,0            _real                   ""
HA_X_T,0		_real			""
HA_Y_T,0		_real			""
HA_Z_T,0		_real			""
HA_OCC_T,0		_positivereal		""
HA_B_T,0            _real                   ""


X_RAY                _oasis_xray              "X_WL"
X_WLENGTH             _positivereal		""

HA_T_TYPE,0      _text                     ""
HA_T_TYPE_NUM,0  _positiveint              ""
HA_T_TYPE,1      _text                     ""
HA_T_TYPE_NUM,1  _positiveint              ""
HA_T_TYPE,3      _text                     ""
HA_T_TYPE_NUM,3  _positiveint              ""
HA_T_TYPE,4      _text                     ""
HA_T_TYPE_NUM,4  _positiveint              ""
HA_T_TYPE,2      _text                     ""
HA_T_TYPE_NUM,2  _positiveint              ""

HA_T_NUM         _positiveint              1
HA_N_TMP           _positiveint            1

X_F,0         _real                 "" 
X_F,1         _real                 "" 
X_F,2         _real                 "" 
X_F,3         _real                 "" 
X_F,4         _real                 "" 

PAR		_logical                 0
PAR_MODE     _par_mode               P_PDB


PAR_PDB_FILE    _pdb_file             ""
DIR_PAR_PDB_FILE    _default_dirs         ""
PAR_OAS_FILE       _any_file                    ""
DIR_PAR_OAS_FILE   _default_dirs         ""
KMI        _real                     0.03
CYC        _positiveint              2
COS        _logical                  0
FOM        _logical                 0   

MERGE      _logical                 0          
M_HKLIN         _MTZ_file                  ""
DIR_M_HKLIN     _default_dirs              ""
M_PHIC          _mtz_label_phi             ""
M_FOM           _mtz_label_hl             ""
M_HKLOUT         _MTZ_file                  ""
DIR_M_HKLOUT     _default_dirs              ""

C_TYPE,0      _text                     ""
C_TYPE_NUM,0  _positiveint              ""
C_NUM         _positiveint              0
MR_SAD        _logical                  1    
MR_SIR        _logical                  0     
NHA          _positiveint              5
SED          _positiveint              1
INIT          _positiveint             0
DM_SIG         _logical                  0  

DM_HKLOUT       _MTZ_file                  ""
DIR_DM_HKLOUT   _default_dirs              ""
solc              _real                    0.5