#
#
#     Copyright (C) 2016
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Application.
#     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 SCRIPT DEF arcimboldo_lite

TITLE                       _title_text      ""

INPUT_FILES                 _list_of_text    HKLIN
OUTPUT_FILES                _list_of_text    "HKLOUT XYZOUT"

DATA_TYPE                   _data_type       INTENSITIES

HKLIN                       _MTZ_file        ""
DIR_HKLIN                   _default_dirs    ""

RESMAX_LIMIT                _resolution      2.5
RESMAX_ACTUAL               _resolution      10000.0
USE_RESMAX_LIMIT            _logical         0

RESMAX_CUTOFF_RF            _text            ""
USE_RESMAX_CUTOFF_RF        _logical         0
LAB_RESMAX_CUTOFF_RF        _text            ""

RESMAX_CUTOFF_TF            _text            ""
USE_RESMAX_CUTOFF_TF        _logical         0
LAB_RESMAX_CUTOFF_TF        _text            ""

RESMAX_CUTOFF_RIG           _text            ""
USE_RESMAX_CUTOFF_RIG       _logical         0
LAB_RESMAX_CUTOFF_RIG       _text            ""

SG_NUMBER_MTZ               _text            ""
SG_SYMBOL_MTZ               _text            ""
SG_NUMBER_LIST              _list_of_text    ""
SG_SYMBOL_LIST              _list_of_text    ""
SG_NUMBER_SELECTED          _arc_sg_menu     ""
SG_SYMBOL_SELECTED          _text            ""
USE_SG_SELECTED             _logical         0

USE_TNCS_OPTION             _logical         0
TNCS_OPTION                 _tncs_option     True

XYZIN_DIR                   _dir             ""
DIR_XYZIN_DIR               _default_dirs    ""
USE_XYZIN_DIR               _logical         0

HKLOUT                      _MTZ_file        ""
DIR_HKLOUT                  _default_dirs    ""
XYZOUT                      _pdb_file        ""
DIR_XYZOUT                  _default_dirs    ""

FP                          _mtz_label_f     ""
SIGFP                       _mtz_label_sig   ""
IP                          _mtz_label_j     ""
SIGIP                       _mtz_label_sig   ""

MOL_WEIGHT                  _positiveint     ""
N_COMPONENTS                _positiveint     ""

USE_SHELXE_LINE             _logical         0
SHELXE_LINE                 _text            "-m30 -v0 -a3 -t20 -q -s0.55"
USE_ID_RSA_LINE             _logical         0
ID_RSA_LINE                 _text            ~/.ssh/id_rsa
N_BORLINE                   _positiveint     0
BORLINE,0                   _text            ""
BORSECTION,0                _bor_section     ARCIMBOLDO

EXE_MODE                    _arc_exe_mode    REMOTE_GRID

ARC_MODEL_TYPE              _arc_model_type  HELIX_CONST
ARC_HELIX_CONST_N_OF        _positiveint     1
ARC_HELIX_CONST_LENGTH      _positiveint     14
ARC_HELIX_CONST_RMSD        _positivereal    0.1
ARC_HELIX_VAR_N_OF          _positiveint     1
ARC_HELIX_VAR_LENGTH,0      _positiveint     14
ARC_HELIX_VAR_RMSD          _positivereal    0.1
ARC_CUSTOM_CONST_N_OF       _positiveint     1
ARC_CUSTOM_CONST_XYZIN      _pdb_file        ""
DIR_ARC_CUSTOM_CONST_XYZIN  _default_dirs    ""
ARC_CUSTOM_CONST_RMSD       _positivereal    0.5
ARC_CUSTOM_VAR_N_OF         _positiveint     1
ARC_CUSTOM_VAR_XYZIN,0      _pdb_file        ""
DIR_ARC_CUSTOM_VAR_XYZIN,0  _default_dirs    ""
ARC_CUSTOM_VAR_RMSD         _positivereal    0.5

WRKDIR                      _dir             ""
DIR_WRKDIR                  _default_dirs    ""
RUN_MODE                    _positiveint     0