Package schrodinger :: Package ui :: Module picking :: Class MaestrolessPickResidueDialog
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Class MaestrolessPickResidueDialog

                       object --+        
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         PickResiduesChangedMixin --+    
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       object --+                   |    
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sip.simplewrapper --+               |    
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          sip.wrapper --+           |    
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     PyQt5.QtCore.QObject --+       |    
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           object --+       |       |    
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    sip.simplewrapper --+   |       |    
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 PyQt5.QtGui.QPaintDevice --+       |    
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      PyQt5.QtWidgets.QWidget --+   |    
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          PyQt5.QtWidgets.QDialog --+    
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        _BaseMaestrolessPickResDialog --+
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                                       MaestrolessPickResidueDialog

Class for picking residues outside of Maestro.

Nested Classes [hide private]
  PickModelClass
Model for tables to allow picking residues from a structure outside of Maestro.

Inherited from PyQt5.QtWidgets.QDialog: DialogCode

Inherited from PyQt5.QtWidgets.QWidget: RenderFlag, RenderFlags

Inherited from PyQt5.QtGui.QPaintDevice: PaintDeviceMetric

Instance Methods [hide private]
 
__init__(self, st, lig_st=None, find_ws_lig=False, multi_select=True, parent=None)
x.__init__(...) initializes x; see help(type(x)) for signature
list
af2SettingsGetValue(self)
Used with schrodinger.ui.qt.appframework2.settings.SettingsMixin to save the dialog state to JSON.
 
af2SettingsSetValue(self, value)
Used with schrodinger.ui.qt.appframework2.settings.SettingsMixin to reload the dialog state from JSON.
 
onShowComboIndexChanged(self)
Called when the index of the Show combo box is changed.
 
updateNumPickedResiduesLabel(self)
Update the label for number of picked residues.

Inherited from _BaseMaestrolessPickResDialog: accept, clear, display, getResiduesAndDistances

Inherited from PickResiduesChangedMixin: getResiduesCenter, getResiduesList, residues_centroid_changed, residues_changed

Inherited from PyQt5.QtWidgets.QDialog: accepted, closeEvent, contextMenuEvent, done, eventFilter, exec_, finished, isSizeGripEnabled, keyPressEvent, minimumSizeHint, open, reject, rejected, resizeEvent, result, setModal, setResult, setSizeGripEnabled, setVisible, showEvent, sizeHint

Inherited from PyQt5.QtWidgets.QWidget: acceptDrops, accessibleDescription, accessibleName, actionEvent, actions, activateWindow, addAction, addActions, adjustSize, autoFillBackground, backgroundRole, baseSize, changeEvent, childAt, childrenRect, childrenRegion, clearFocus, clearMask, close, contentsMargins, contentsRect, contextMenuPolicy, create, createWindowContainer, cursor, customContextMenuRequested, destroy, devType, dragEnterEvent, dragLeaveEvent, dragMoveEvent, dropEvent, effectiveWinId, ensurePolished, enterEvent, event, find, focusInEvent, focusNextChild, focusNextPrevChild, focusOutEvent, focusPolicy, focusPreviousChild, focusProxy, focusWidget, font, fontInfo, fontMetrics, foregroundRole, frameGeometry, frameSize, geometry, getContentsMargins, grab, grabGesture, grabKeyboard, grabMouse, grabShortcut, graphicsEffect, graphicsProxyWidget, hasFocus, hasHeightForWidth, hasMouseTracking, height, heightForWidth, hide, hideEvent, initPainter, inputMethodEvent, inputMethodHints, inputMethodQuery, insertAction, insertActions, isActiveWindow, isAncestorOf, isEnabled, isEnabledTo, isFullScreen, isHidden, isLeftToRight, isMaximized, isMinimized, isModal, isRightToLeft, isVisible, isVisibleTo, isWindow, isWindowModified, keyReleaseEvent, keyboardGrabber, layout, layoutDirection, leaveEvent, locale, lower, mapFrom, mapFromGlobal, mapFromParent, mapTo, mapToGlobal, mapToParent, mask, maximumHeight, maximumSize, maximumWidth, metric, minimumHeight, minimumSize, minimumWidth, mouseDoubleClickEvent, mouseGrabber, mouseMoveEvent, mousePressEvent, mouseReleaseEvent, move, moveEvent, nativeEvent, nativeParentWidget, nextInFocusChain, normalGeometry, overrideWindowFlags, overrideWindowState, paintEngine, paintEvent, palette, parentWidget, pos, previousInFocusChain, raise_, rect, releaseKeyboard, releaseMouse, releaseShortcut, removeAction, render, repaint, resize, restoreGeometry, saveGeometry, scroll, setAcceptDrops, setAccessibleDescription, setAccessibleName, setAttribute, setAutoFillBackground, setBackgroundRole, setBaseSize, setContentsMargins, setContextMenuPolicy, setCursor, setDisabled, setEnabled, setFixedHeight, setFixedSize, setFixedWidth, setFocus, setFocusPolicy, setFocusProxy, setFont, setForegroundRole, setGeometry, setGraphicsEffect, setHidden, setInputMethodHints, setLayout, setLayoutDirection, setLocale, setMask, setMaximumHeight, setMaximumSize, setMaximumWidth, setMinimumHeight, setMinimumSize, setMinimumWidth, setMouseTracking, setPalette, setParent, setShortcutAutoRepeat, setShortcutEnabled, setSizeIncrement, setSizePolicy, setStatusTip, setStyle, setStyleSheet, setTabOrder, setToolTip, setToolTipDuration, setUpdatesEnabled, setWhatsThis, setWindowFilePath, setWindowFlags, setWindowIcon, setWindowIconText, setWindowModality, setWindowModified, setWindowOpacity, setWindowRole, setWindowState, setWindowTitle, sharedPainter, show, showFullScreen, showMaximized, showMinimized, showNormal, size, sizeIncrement, sizePolicy, stackUnder, statusTip, style, styleSheet, tabletEvent, testAttribute, toolTip, toolTipDuration, underMouse, ungrabGesture, unsetCursor, unsetLayoutDirection, unsetLocale, update, updateGeometry, updateMicroFocus, updatesEnabled, visibleRegion, whatsThis, wheelEvent, width, winId, window, windowFilePath, windowFlags, windowHandle, windowIcon, windowIconChanged, windowIconText, windowIconTextChanged, windowModality, windowOpacity, windowRole, windowState, windowTitle, windowTitleChanged, windowType, x, y

Inherited from PyQt5.QtCore.QObject: __getattr__, blockSignals, childEvent, children, connectNotify, customEvent, deleteLater, destroyed, disconnect, disconnectNotify, dumpObjectInfo, dumpObjectTree, dynamicPropertyNames, findChild, findChildren, inherits, installEventFilter, isSignalConnected, isWidgetType, isWindowType, killTimer, metaObject, moveToThread, objectName, objectNameChanged, parent, property, pyqtConfigure, receivers, removeEventFilter, sender, senderSignalIndex, setObjectName, setProperty, signalsBlocked, startTimer, thread, timerEvent, tr

Inherited from PyQt5.QtGui.QPaintDevice: colorCount, depth, devicePixelRatio, devicePixelRatioF, devicePixelRatioFScale, heightMM, logicalDpiX, logicalDpiY, paintingActive, physicalDpiX, physicalDpiY, widthMM

Inherited from sip.simplewrapper: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  ALL_RESIDUES = 'All residues'
  NEAR_RESIDUES = 'Residues near ligand (within 5A)'

Inherited from PickResiduesChangedMixin: __metaclass__

Inherited from PyQt5.QtWidgets.QDialog: Accepted, Rejected

Inherited from PyQt5.QtWidgets.QWidget: DrawChildren, DrawWindowBackground, IgnoreMask

Inherited from PyQt5.QtCore.QObject: staticMetaObject

Inherited from PyQt5.QtGui.QPaintDevice: PdmDepth, PdmDevicePixelRatio, PdmDevicePixelRatioScaled, PdmDpiX, PdmDpiY, PdmHeight, PdmHeightMM, PdmNumColors, PdmPhysicalDpiX, PdmPhysicalDpiY, PdmWidth, PdmWidthMM

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, st, lig_st=None, find_ws_lig=False, multi_select=True, parent=None)
(Constructor)

 

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:
  • st (schrodinger.structure.Structure) - Structure containing the residues
  • lig_st (schrodinger.structure.Structure or None) - Ligand structure to check distances of residues against. Cannot be specified if find_ws_lig is set to True. If not specified and find_ws_lig is False, distance filtering will not be enabled.
  • find_ws_lig (bool) - Whether to search self.st for a single ligand. If more than one ligand is identified, none will be used. Cannot be True if a ligand is specified via ligand_st.
  • multi_select (bool) - Whether to allow selection of multiple residues, vs a single residue only. Default is True.
  • parent (QtWidgets.QWidget) - Parent widget to the dialog
Overrides: object.__init__

af2SettingsGetValue(self)

 

Used with schrodinger.ui.qt.appframework2.settings.SettingsMixin to save the dialog state to JSON.

Returns: list
List of panel attributes to serialize

af2SettingsSetValue(self, value)

 

Used with schrodinger.ui.qt.appframework2.settings.SettingsMixin to reload the dialog state from JSON.

Parameters:
  • value (list) - Values to set for the panel

onShowComboIndexChanged(self)

 

Called when the index of the Show combo box is changed. Updates the available residues based on the selected option.