#
#     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 1.2.7
#CCP4I SCRIPT DEF acorn
#CCP4I DATE 09 Jan 2002  13:56:48
#CCP4I USER mariat
INPUT_FILES               _list_of_text             HKLIN
OUTPUT_FILES              _list_of_text             HKLOUT
SOLFIL                    _mr_file                  ""
DIR_SOLFIL                _default_dirs             ""

HKLIN                     _MTZ_file                 ""
DIR_HKLIN                 _default_dirs             ""
MTZECALC                  _MTZ_file                 ""
DIR_MTZECALC              _default_dirs             ""
HKLOUT                    _MTZ_file                 ""
DIR_HKLOUT                _default_dirs             ""

XYZIN                     _pdb_file                 ""
DIR_XYZIN                 _default_dirs             ""

ACORN_PROTOCOL            _acorn_protocol           NONE
ACORN_PROTOCOLSUB         _acorn_protocolsub        NONESUB

LABIN                     _text                     ""
FP                        _mtz_label_f              ""
SIGFP                     _mtz_label_sig            ""
E                         _mtz_label_e              ""
SIGE                      _mtz_label_sig            ""
PHIN                      _mtz_label_phi            ""
WTIN                      _mtz_label_w              ""
USE_PHIFT                 _logical                  0
PHIFT                     _mtz_label_phi            ""

LABOUT                    _text                     "PHIOUT WTOUT"
PHIOUT                    _text                     PHIOUT
WTOUT                     _text                     WTOUT

TITLE                     _title_text               ""
SPACE_GROUP               _space_group              ""
EXCLUDE_RESOLUTION        _logical                  0
EXCLUDE_RESOLUTION_LO     _positivereal             ""
EXCLUDE_RESOLUTION_HI     _positivereal             ""
EXCLUDE_RESO_HALOW        _logical                  0
EXCLUDE_RESO_HI_HALOW     _positivereal             3.5

MODELSEL                  _select_model             NAFRAGALL
NAFRAG                    _positiveint              1
NSTART                    _positiveint              1

RATM                      _logical                  1
NRATM                     _positiveint              50000
RATM_PERC                 _positiveint              20

KNOWN_FRAG                _logical                  0
POSI                      _positiveint              1

MRMODE                    _acorn_mr_mode            MRNONE
IFPRIORMR                 _logical                  0

IFMR                      _logical                  0
ROTMODE                   _acorn_rot_mode           ROTF
ROTF_STEP                 _positivereal             3.0
RF_PERC                   _positiveint              20
RF_RESOR                  _positivereal             ""
RROT_NROT                 _positiveint              50000
TRAMODE                   _acorn_tra_mode           TRAN
TRAN_SHIFT                _positivereal             0.2
TF_PERC                   _positiveint              20
TF_NSROT                  _positiveint              1
RTRA_NTRAN                _positiveint              50000

IFSIGCUT                  _logical                  0
EXCLUDE                   _positivereal             ""
IFECUT                    _logical                  0
ECUT                      _positivereal             5.0

STRONGSEL                 _select_strong            STRONGDEF
NSTRONG                   _positiveint              ""
ESTRONG                   _positivereal             1.2
WEAKSEL                   _select_weak              WEAKDEF
NWEAK                     _positiveint              ""
EWEAK                     _positivereal             0.1

ADDCONTENT                _positiveint              0
CONT_SYMB,0               _text                     ""
CONT_NUMB,0               _positiveint              ""
IFGRIDDEF                 _logical                  0
GRID                      _positivereal             0.5
IFGRIDSMALL               _logical                  0
GRIDSMALL                 _positivereal             0.3
IFSEED                    _logical                  0
SEED                      _positiveint              1

NTRYONLY                  _logical                  1
NTRY1                     _positiveint              10
NTRY                      _positiveint              1
NCSER,0                   _positiveint              2
NCSER,1                   _positiveint              0
NCDDM,0                   _positiveint              500
NCDDM,1                   _positiveint              500
SUPP                      _logical                  0
IFMAXSET                  _logical                  0
MAXSET                    _positiveint              100
IFCUTDDM                  _logical                  0
CUTDDM                    _positiveint              3.0
IFPSFINISH                _logical                  0
PSFINISH                  _positivereal             0.5
IFCCFINISH                _logical                  0
CCFINISH                  _positivereal             0.15

ACORN_ECALC               _logical                  1
ACORN_PEAKSEARCH          _logical                  1
NUMPEAKS                  _positiveint              40
THRESHHOLD                _positivereal             5.0
THRESHHOLD_RMS            _logical                  1

ACORN_EXTEND              _logical                  1
ACORN_ANIS                _logical                  1