#
#     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 1.0.2
#CCP4I SCRIPT DEF beast 
#CCP4I DATE 22/03/02 
#CCP4I USER ameb

TITLE                   _title_text                   ""

INPUT_FILES             _list_of_text                 ""
OUTPUT_FILES            _list_of_text                 ""

HKLIN                   _MTZ_file                     "" 
DIR_HKLIN               _default_dirs                 ""
LABIN                   _text                         F
F                       _mtz_label_f                  ""

MR_MODE                 _beast_mr_mode                SEARCH
NMOLECULES              _positiveint                  1
MOLECULE_ID,0           _beast_molecule_id            ""
MOLECULE_FRACTION,0     _fraction                     ""
NMODELS,0               _positiveint                  1
MOLECULE_ID,1           _chain_id                     mol1
MOLECULE_FRACTION,1     _fraction                     ""
NMODELS,1               _positiveint                  1

XYZIN,0                 _pdb_file                     ""
DIR_XYZIN,0             _default_dirs                 ""
ERROR_MODE,0            _beast_ident_rms              IDENT
ERROR_IDENT,0           _real                         ""
ERROR_RMS,0             _real                         ""

XYZIN,1_1               _pdb_file                     ""
DIR_XYZIN,1_1           _default_dirs                 ""
ERROR_MODE,1_1          _beast_ident_rms              IDENT
ERROR_IDENT,1_1         _real                         ""
ERROR_RMS,1_1           _real                         ""

MOLECULE_MR             _beast_molecule_menu          "mol1"
MOLECULE_FIX_ORIENT,0   _beast_molecule_menu          ""
MOLECULE_FIX_ORIENT,1   _beast_molecule_menu          ""
MOLECULE_MENU_LIST      _menu                         ""

ROTATE_OPTIONS          _beast_rotate_options         NONE
TRANSLATE_OPTIONS       _beast_translate_options      NONE
EULER_ENTRY             _beast_euler_entry            MANUAL
ROTATE_STEP_SIZE        _real                         ""
ROTATE_REGION_ALPHA1    _real                         ""
ROTATE_REGION_ALPHA2    _real                         ""
ROTATE_REGION_BETA1     _real                         ""
ROTATE_REGION_BETA2     _real                         ""
ROTATE_REGION_GAMMA1    _real                         ""
ROTATE_REGION_GAMMA2    _real                         ""
ROTATE_AROUND_RADIUS    _real                         ""
ROTATE_AROUND_STEPSIZE  _real                         ""
NEULER                  _positiveint                  "1"
ALPHA,0                 _real                         ""
BETA,0                  _real                         ""
GAMMA,0                 _real                         ""
NVECTOR                 _positiveint                  "1"
X1,0                    _real                         ""
Y1,0                    _real                         ""
Z1,0                    _real                         ""
TRANSLATE_AROUND_RADIUS _real                         ""
TRANSLATE_AROUND_STEPSIZE _real                       ""
TRANSLATE_GRID          _beast_translate_grid         HCP 
TRANSLATE_REGION_X1     _real                         ""
TRANSLATE_REGION_X2     _real                         ""
TRANSLATE_REGION_Y1     _real                         ""
TRANSLATE_REGION_Y2     _real                         ""
TRANSLATE_REGION_Z1     _real                         ""
TRANSLATE_REGION_Z2     _real                         ""
TRANSLATE_REGION_STEP   _positivereal                 ""
TRANSLATE_REGION_XSTEP  _fraction                     "" 
TRANSLATE_REGION_YSTEP  _fraction                     "" 
TRANSLATE_REGION_ZSTEP  _fraction                     "" 

FIX                     _logical                      0
NFIX_ORIENT             _positiveint                  1
FIX_MODE,0              _beast_fix_mode               ORIENTPOSITION
FIX_ORIENT_ALPHA,0      _real                         ""
FIX_ORIENT_BETA,0       _real                         ""
FIX_ORIENT_GAMMA,0      _real                         ""
FIX_ORIENT_X,0          _real                         ""
FIX_ORIENT_Y,0          _real                         ""
FIX_ORIENT_Z,0          _real                         ""
FIX_ORIENT_ALPHA,1      _real                         ""
FIX_ORIENT_BETA,1       _real                         ""
FIX_ORIENT_GAMMA,1      _real                         ""
FIX_ORIENT_X,1          _real                         ""
FIX_ORIENT_Y,1          _real                         ""
FIX_ORIENT_Z,1          _real                         ""

TRIAL_TYPE              _beast_trial_type             ROT
NTRIAL                  _positiveint                  1
TRIAL_ALPHA,0           _real                         ""
TRIAL_BETA,0            _real                         ""
TRIAL_GAMMA,0           _real                         ""
TRIAL_X,0               _real                         ""
TRIAL_Y,0               _real                         ""
TRIAL_Z,0               _real                         ""
MR_FILE                 _mr_file                      ""
DIR_MR_FILE             _default_dirs                 ""

TOG_RESOLUTION_LIMITS   _logical                      0
RESOLUTION_LIMITS       _beast_resolution_limits      DMINONLY
DMIN                    _real                         ""
DMAX                    _real                         ""
TOG_NBEST               _logical                      0
NBEST                   _int                          ""
TOG_NBESTT              _logical                      0
NBESTT                  _int                          ""
TOG_NO_MR_BEST_FILE     _logical                      0
TOG_NCLUST              _logical                      0
NCLUST                  _int                          ""
TOG_NO_MR_CLUST_FILE    _logical                      0
TOG_AVERAGE             _logical                      0
AVERAGE                 _beast_average                STATISTICAL
TOG_PIVOT_POINT         _logical                      0
PIVOT_POINT             _beast_pivot_point            CENTRE
PIVOT_X                 _real                         ""
PIVOT_Y                 _real                         ""
PIVOT_Z                 _real                         ""
TOG_SOL                 _logical                      0
FSOL                    _real                         ""
BSOL                    _real                         ""
TOG_OUTLIER             _logical                      0
OUTLIER                 _real                         ""
TOG_SHANNON             _logical                      0
SHANNON                 _real                         ""
TOG_BOXSCALE            _logical                      0
BOXSCALE                _real                         ""
TOG_REPORT              _logical                      0
REPORT                  _beast_report                 BEST
TOG_VERBOSE             _logical                      0