#
#
#     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_shredder

TITLE                       _title_text      {[No title given]}

INPUT_FILES                 _list_of_text    ""
OUTPUT_FILES                _list_of_text    ""

DATA_TYPE                   _data_type       INTENSITIES

CONFIG                      _bor_file        ""
DIR_CONFIG                  _default_dirs    ""

HKLIN                       _MTZ_file        ""
DIR_HKLIN                   _default_dirs    ""

RESMAX_LIMIT                _resolution      2.5
RESMAX_LIMIT_COIL           _resolution      3.0
RESMAX_ACTUAL               _resolution      10000.0
USE_RESMAX_LIMIT            _logical         0
RESMAX_IGNORE               _logical         0

RESMAX_CUTOFF_RF            _text            ""
USE_RESMAX_CUTOFF_RF        _logical         0

RESMAX_CUTOFF_TF            _text            ""
USE_RESMAX_CUTOFF_TF        _logical         0

RESMAX_CUTOFF_RIG           _text            ""
USE_RESMAX_CUTOFF_RIG       _logical         0

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                 _bool_option     True

XYZIN_FIXED                 _pdb_file        ""
DIR_XYZIN_FIXED             _default_dirs    ""
USE_XYZIN_FIXED             _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            ""
USE_ID_RSA_LINE             _logical         0
ID_RSA_LINE                 _text            ~/.ssh/id_rsa
N_BORLINE_LITE              _positiveint     0
N_BORLINE_BORG              _positiveint     0
N_BORLINE_SHRE              _positiveint     0
BORLINE_LITE,0              _text            ""
BORLINE_BORG,0              _text            ""
BORLINE_SHRE,0              _text            ""
BORSECTION_LITE,0           _bor_sect_lite   "ARCIMBOLDO"
BORSECTION_BORG,0           _bor_sect_borg   "ARCIMBOLDO-BORGES"
BORSECTION_SHRE,0           _bor_sect_shre   "ARCIMBOLDO-SHREDDER"

EXE_PROG                    _arc_exec_prog   SHREDDER
EXE_MODE                    _arc_exe_mode    MULTIPROC
ARC_CONF_MODE               _positiveint     2

ARC_HELIX_COIL_N_OF         _positiveint     ""
ARC_HELIX_COIL_LENGTH       _positiveint     ""
ARC_HELIX_COIL_RMSD         _positivereal    0.2

ARC_MODEL_TYPE              _arc_model_type  HELIX_CONST
ARC_HELIX_CONST_N_OF        _positiveint     ""
ARC_HELIX_CONST_LENGTH      _positiveint     ""
ARC_HELIX_CONST_RMSD        _positivereal    0.2
ARC_HELIX_VAR_N_OF          _positiveint     1
ARC_HELIX_VAR_LENGTH,0      _positiveint     ""
ARC_HELIX_VAR_RMSD          _positivereal    0.2
ARC_CUSTOM_CONST_N_OF       _positiveint     ""
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

BORGES_LIB                  _borges_lib      HELI_lib_uu
LIBIN_DIR                   _dir             ""
DIR_LIBIN_DIR               _default_dirs    ""
USE_GYRE_OPTION             _logical         0
GYRE_OPTION                 _bool_option     False
USE_GIMBLE_OPTION           _logical         0
GIMBLE_OPTION               _bool_option     False

PDBIN_SHR                   _pdb_file        ""
DIR_PDBIN_SHR               _default_dirs    ""
SHREDDER_RMSD               _positivereal    1.2
SHREDDER_MODE               _shredder_mode   SHR_MODE_SEQ


WRKDIR                      _dir             ""
DIR_WRKDIR                  _default_dirs    ""
RUN_MODE                    _positiveint     0

USE_SHR_ALL_POLYALA         _logical         0
USE_SHR_ALL_EQUAL_BS        _logical         0
USE_SHR_SPH_COIL            _logical         0
USE_SHR_SPH_GYRE            _logical         0
USE_SHR_SPH_GIMBLE          _logical         0
USE_SHR_SPH_PRUNE           _logical         0
USE_SHR_SPH_FRAGSIZE        _logical         0
SHR_ALL_POLYALA             _bool_option     False
SHR_ALL_EQUAL_BS            _bool_option     False
SHR_SPH_COIL                _bool_option     False
SHR_SPH_GYRE                _bool_option     True
SHR_SPH_GIMBLE              _bool_option     True
SHR_SPH_PRUNE               _bool_option     False
SHR_SPH_FRAGSIZE            _positiveint     ""

