MainWindow 0 0 564 554 Mathematical Molecular Mechanics 0 Generate trajectory 110 23 Work directory 280 23 80 23 Browse true 110 23 Input file 280 23 80 23 Browse true 110 23 Type of trajectory 130 23 GROMACS text PUMA Qt::Horizontal 40 20 110 23 Number of steps 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 999 Qt::Horizontal 40 20 110 23 Atom type file 280 23 80 23 Browse true 110 23 Mask of output files 365 23 110 23 Total atom types 80 23 Qt::LeftToRight Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1024 999999 110 23 Log true 80 23 80 23 Browse true Qt::Vertical 20 40 80 23 Clear true Qt::Horizontal 40 20 80 23 16777215 16777215 Start true Agglomeration 110 23 Work directory 280 23 80 23 Browse true 110 23 Mask of input files 280 23 110 23 Steps 75 23 first 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 999 Qt::Horizontal 40 20 75 23 last 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 999 Qt::Horizontal 40 20 110 23 Cell, A 50 23 X 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Y 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Z 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 0 0 45 23 atom 0 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 65 23 atom 1 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter false 65 23 atom 2 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter false 65 23 atom 3 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 110 23 Interaction 0 0 90 23 0-0 0 0 90 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 0.000000000000000 0.000000000000000 80 23 Save true 80 23 Add true 484 85 QAbstractItemView::NoEditTriggers Qt::Horizontal 40 20 80 23 Remove true 110 23 Output file 280 23 80 23 Browse true 110 23 Depth of search true 80 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 1000 10 110 23 Log true 80 23 80 23 Browse true 80 23 Clear true Qt::Horizontal 40 20 80 23 16777215 16777215 Start true Environment 110 23 Work directory 280 23 80 23 Browse true 110 23 Input file 280 23 80 23 Browse true 110 23 Cell, A 50 23 X 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Y 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Z 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 110 23 Output file 280 23 80 23 Browse true 110 23 Molecule 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 9999 Qt::Horizontal 40 20 110 23 Radius 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 Qt::Horizontal 40 20 110 23 Log true 173 23 80 23 Browse true Qt::Vertical 20 177 80 23 Clear true Qt::Horizontal 40 20 80 23 16777215 16777215 Start true RADF 110 23 Work directory 280 23 80 23 Browse true 110 23 Mask of input files 280 23 110 23 Steps 75 23 first 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 999 Qt::Horizontal 40 20 75 23 last 75 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 999 Qt::Horizontal 40 20 110 23 Cell, A 50 23 X 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Y 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Z 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 110 23 Output file 280 23 80 23 Browse true 150 23 One atom function Three atom function 0 0 45 23 atom 1 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 45 23 atom 2 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 45 23 atom 3 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Qt::Horizontal QSizePolicy::Fixed 155 23 0 0 45 23 atom 1 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 45 23 atom 2 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 45 23 atom 3 false 0 0 50 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 110 23 R, A 50 23 min 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 0.000000000000000 999.990000000000009 2.000000000000000 50 23 max 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 0.100000000000000 999.990000000000009 15.000000000000000 50 23 step 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 0.001000000000000 1.000000000000000 0.010000000000000 0.020000000000000 110 23 Angle, deg 50 23 min false 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 2 0.000000000000000 90.000000000000000 15.000000000000000 0.000000000000000 50 23 max false 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 2 0.100000000000000 90.000000000000000 15.000000000000000 90.000000000000000 50 23 step false 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 2 0.100000000000000 90.000000000000000 15.000000000000000 15.000000000000000 110 23 Matrix 110 23 Log true 150 23 80 23 Browse true Qt::Vertical 20 47 80 23 Clear true Qt::Horizontal 40 20 80 23 16777215 16777215 Start true Generate PDB From agglomerate From trajectory snapshot 110 23 Work directory 280 23 80 23 Browse true 110 23 Input file 280 23 80 23 Browse true 150 23 File with agglomerate 280 23 80 23 Browse true 110 23 Cell, A 50 23 X 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Y 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 50 23 Z 0 0 55 23 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 999.990000000000009 110 23 Output file 280 23 80 23 Browse true 110 23 Log true 173 23 80 23 Browse true Qt::Vertical 20 147 80 23 Clear true Qt::Horizontal 40 20 80 23 16777215 16777215 Start true 0 0 564 20 Menu File creator Help TopToolBarArea false &Quit Quit Ctrl+Q &Help F1 About Atom &types file &Agglomerate file Settings tabWidget trj_lineEdit_workDir trj_pushButton_workDir trj_lineEdit_input trj_pushButton_input trj_comboBox_type trj_spinBox_steps trj_lineEdit_atoms trj_pushButton_atoms trj_lineEdit_output trj_spinBox_totalTypes trj_checkBox_log trj_lineEdit_log trj_pushButton_log trj_pushButton_clear trj_pushButton_start statgen_lineEdit_workDir statgen_pushButton_workDir statgen_lineEdit_input statgen_spinBox_stepsFirst statgen_spinBox_stepsLast statgen_doubleSpinBox_cellX statgen_doubleSpinBox_cellY statgen_doubleSpinBox_cellZ statgen_spinBox_atoms0 statgen_checkBox_atoms1 statgen_spinBox_atoms1 statgen_checkBox_atoms2 statgen_spinBox_atoms2 statgen_checkBox_atoms3 statgen_spinBox_atoms3 statgen_comboBox_int statgen_doubleSpinBox_int stagen_pushButton_intSave statgen_pushButton_intAdd statgen_listWidget_int stagen_pushButton_intRem statgen_lineEdit_output statgen_pushButton_output statgen_checkBox_depth statgen_spinBox_depth statgen_checkBox_log statgen_lineEdit_log statgen_pushButton_log statgen_pushButton_clear statgen_pushButton_start envir_lineEdit_workDir envir_pushButton_workDir envir_lineEdit_input envir_pushButton_input envir_doubleSpinBox_cellX envir_doubleSpinBox_cellY envir_doubleSpinBox_cellZ envir_lineEdit_output envir_pushButton_output envir_spinBox_molecule envir_doubleSpinBox_radius envir_checkBox_log envir_lineEdit_log envir_pushButton_log envir_pushButton_clear envir_pushButton_start radf_lineEdit_workDir radf_pushButton_workDir radf_lineEdit_input radf_spinBox_stepsFirst radf_spinBox_stepsLast radf_doubleSpinBox_cellX radf_doubleSpinBox_cellY radf_doubleSpinBox_cellZ radf_lineEdit_output radf_pushButton_output radf_comboBox_atom radf_spinBox_atoms0 radf_spinBox_atoms1 radf_spinBox_atoms2 radf_spinBox_atoms3 radf_spinBox_atoms4 radf_spinBox_atoms5 radf_doubleSpinBox_radMin radf_doubleSpinBox_radMax radf_doubleSpinBox_radStep radf_checkBox_ang radf_doubleSpinBox_angMin radf_doubleSpinBox_angMax radf_doubleSpinBox_angStep radf_checkBox_matrix radf_checkBox_log radf_lineEdit_log radf_pushButton_log radf_pushButton_clear radf_pushButton_start pdb_comboBox_mode pdb_lineEdit_workDir pdb_pushButton_workDir pdb_lineEdit_input pdb_pushButton_input pdb_lineEdit_agl pdb_pushButton_agl pdb_doubleSpinBox_cellX pdb_doubleSpinBox_cellY pdb_doubleSpinBox_cellZ pdb_lineEdit_output pdb_pushButton_output pdb_checkBox_log pdb_lineEdit_log pdb_pushButton_log pdb_pushButton_clear pdb_pushButton_start actionExit triggered() MainWindow close() -1 -1 199 149