#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT DEF phaser_NMA
#CCP4I DATE 22/11/08
#CCP4I USER airlie

#lists for ccp4 input and output files, in scripts/phaser_NMA.script
INPUT_FILES                     _list_of_text                         ""
OUTPUT_FILES                    _list_of_text                         ""
PDB_FILE,0                      _text                                 ""
SUM_FILE                        _text                                 ""
SOL_FILE                        _text                                 ""
EIGEN_FILE                      _text                                 ""

NMA_DOMAIN                      _mode_menu                            DOMAIN

#JOBS
TOG_NJOBS                       _logical                              0
NJOBS                           _positiveint                          2 

#NMA
ENSEMBLE_ID_NMA                 _text                                 ensemble1
RMS_NMA                         _positivereal                         1.5
ENSEMBLE_RMSID_OPTION_NMA       _rmsid_option                         RMS
NMA_XYZIN                       _pdb_file                             ""
DIR_NMA_XYZIN                   _default_dirs                         ""
EIGENIN                         _mat_file                             ""
DIR_EIGENIN                     _default_dirs                         ""
NMA_PERTURB                     _perturb_type                         RMS
NMA_RMSINC                      _positivereal                         0.2
NMA_MAXRMS                      _positivereal                         0.5
NMA_DIRECTION                   _perturb_dir                          TOFRO
NMA_METHOD                      _method_type                          RTB
TOG_NMA_EIGEN                   _logical                              0
NMA_EIGEN                       _eigen_type                           WRITEON
TOG_NMA_NRES                    _logical                              0
NMA_NRES                        _positiveint                          0
NMA_FORCE                       _positivereal                         1.0
NMA_RADIUS                      _positivereal                         5.0
TOG_NMA_MAXB                    _logical                              0
NMA_MAXB                        _positiveint                          125
TOG_NMA_RADIUS                  _logical                              0
TOG_NMA_FORCE                   _logical                              0
TOG_NMA_DIRECTION               _logical                              0
TOG_NMA_METHOD                  _logical                              0
N_NMA_DQ                        _positiveint                          1
NMA_DQ,0                        _positiveint                          ""
NMA_DQ,1                        _positiveint                          10

N_NMA_MODES                     _positiveint                          1
NMA_MODE,0                      _positiveint                          ""
NMA_MODE,1                      _positiveint                          5
TOG_NMA_COMBINATION             _logical                              0
NMA_NCOMB                       _positiveint                          2

TOG_NMA_NUMB                    _logical                              0
NMA_NUMB                        _positiveint                          2
TOG_NMA_WEIG                     _logical                              0
NMA_WEIG_EQUA                   _positivereal                         1
NMA_WEIG_SPHE                   _positivereal                         4
NMA_WEIG_DENS                   _positivereal                         1
NMA_WEIG_CONT                   _positivereal                         0
TOG_NMA_DDM                     _logical                              0
TOG_NMA_SLI                     _logical                              0
NMA_DDM_SLID                    _positiveint                          0
NMA_DDM_STEP                    _positiveint                          50
NMA_DDM_MIN                     _positiveint                          1
NMA_DDM_MAX                     _positiveint                          5
TOG_NMA_JOIN                    _logical                              0
NMA_JOIN_MIN                    _int                                  2
NMA_JOIN_MAX                    _int                                  12
TOG_NMA_SEQU                    _logical                              0
NMA_SEQU_MIN                    _positiveint                          0
NMA_SEQU_MAX                    _positiveint                          1
TOG_NMA_DIST                    _logical                              0
NMA_DIST_MIN                    _positivereal                         7
NMA_DIST_MAX                    _positivereal                         14

#ROOT
ROOT                            _text                                 ""
FILENAME_ROOT                   _text                                 ""

#TITLE
TITLE                           _title_text                           ""

#VERBOSE
TOG_VERBOSE                     _logical                              0
TOG_VERBOSE_EXTRA               _logical                              0

#XYZOUT
TOG_XYZOUT                      _logical                              0
XYZOUT_ONOFF                    _onoff                                ON

