#
#
#     Copyright (C) 2005 Ronan Keegan
#
#     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: mrbump.def,v 1.16 2012/07/03 14:47:48 rmk65 Exp $
#CCP4I VERSION CCP4Interface 0.4
#CCP4I SCRIPT DEF mrbump
#CCP4I DATE  22/10/05 10:05:30
#CCP4I USER rmk

TITLE           _title_text                ""

INPUT_FILES     _list_of_text              "HKLIN SEQIN"
OUTPUT_FILES    _list_of_text              "HKLOUT XYZOUT"

HKLIN           _MTZ_file                  ""
DIR_HKLIN       _default_dirs              ""
SEQIN           _any_file                  ""
DIR_SEQIN       _default_dirs              ""
PREPDIR         _text                      ""
PDBDIR          _text                      ""
PDBLOCAL        _text                      ""

HKLOUT          _MTZ_file                  ""
DIR_HKLOUT      _default_dirs              ""
XYZOUT		_pdb_file                  ""
DIR_XYZOUT	_default_dirs              ""
XYZIN,0   	_pdb_file                  ""
DIR_XYZIN,0	_default_dirs              ""
FIXED_XYZIN,0     _pdb_file                ""
DIR_FIXED_XYZIN,0 _default_dirs            ""

SPACE_GROUP	_space_group	           ""
RESOLUTION_MAX	_positivereal              2.5

ROOTDIR         _default_dirs              ""
RESHTML         _any_file                  ""

F               _mtz_label_f               ""
SIGF            _mtz_label_sig             ""
FreeR_flag      _mtz_label_freer           ""

MRNUM           _positiveint               5 
ENSNUM          _positiveint               1 
ENSMODNUM       _positiveint               5

EVALUE          _positivereal              0.02
PACK            _positiveint               5
PJOBS           _positiveint               2
NCYC            _positiveint               30
REFTWIN         _logical                   0
NMASU           _positiveint               ""

MRBUMP_MODE     _mrbump_mode               "FULLMR" 
MAPROGRAM       _ma_program                "MAFFT"

MR_PROGRAM_LIST _text                      ""
PROXYSERVER     _text                      ""
USE_MOLREP      _logical                   1 
USE_PHASER      _logical                   1 

SSMSEARCH       _logical                   0
SCOPSEARCH      _logical                   1
PQSSEARCH       _logical                   1

MDLU            _logical                   0
MDLD            _logical                   0
MDLM            _logical                   1
MDLC            _logical                   1
MDLS            _logical                   1
MDLP            _logical                   0

DEBUG           _logical                   0
UPDATE          _logical                   1
DOFASTA         _logical                   1
FASTALOCAL      _logical                   0
HTMLOUT         _logical                   0

TRYALL		_tryall                    0	
CLEAN		_logical                   0	
LITE		_logical                   0	
CHECK		_logical                   1	

IGNORE          _text                      ""
INCLUDE         _text                      ""
LOCALFILE       _text                      ""

NPDBIDS         _positiveint               0
PDBID,0         _text                      ""
NCHAINIDS       _positiveint               0
CHAINID,0       _text                      ""

NLOCAL          _positiveint               0
NFIXED          _positiveint               0
LOCALID,0       _text                      ""
LOC_CHAINID,0   _text                      ""
LOC_RMS,0       _positivereal              0.0
FIDEN,0         _positivereal              0.0

BUCCANEER       _logical                   1
BCYC            _positiveint               5
ARPWARP         _logical                   0
ACYC            _positiveint               5
SHELXE          _logical                   0
SCYC            _positiveint               15
AUTOTRACE_AVAILABLE   _logical             1

USEACORN        _logical                   0
ACORN_FLAG      _logical                   0
ACORNRES        _positivereal              1.7

USEENANT        _logical                   0
ENANT_FLAG      _logical                   0

DBOUT           _logical                   0
DBVIEW          _logical                   0
CLUSTER         _logical                   0
CLUSTER_QUEUE   _logical                   0

NPKEY           _positiveint               0
PKEYWORD,0      _text                      ""