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The module that creates the actions and menus for the Pymol-like interface of BioLuminate.
Copyright Schrodinger, LLC. All rights reserved.
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| FakeMaestro | |||
| ResultsWindow | |||
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MWidgetAction A QAction that performs a Maestro command |
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MAction A QAction that performs a Maestro command |
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PMLMenu The base menu class we subclass from |
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PMLContextMenu The base menu class we subclass from for context menus |
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RockData Stores information about the current workspace rocking state |
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LigandActionMixin Class that contains a method to restrict the asl to Ligands only |
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| ShowLines | |||
| ShowLigandLines | |||
| ShowTubes | |||
| ShowLigandTubes | |||
| ShowBAndS | |||
| ShowNonBonded | |||
| ShowNonBondedSpheres | |||
| ShowSpheres | |||
| ShowLigandSpheres | |||
| ShowCartoon | |||
| ShowRibbon | |||
| ShowLabel | |||
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SurfaceRender Base class for actions that render a surface |
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| ShowSurface | |||
| ShowMesh | |||
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ShowSubstructureMenu The Show->substructure submenus |
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ShowOrganicMenu The Show->Organic submenus |
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AsMenu The Show->As submenu |
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ShowMenu The Show menu |
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| Zoom | |||
| Orient | |||
| Center | |||
| Origin | |||
| Clean | |||
| Rename | |||
| DeleteWS | |||
| DeleteProject | |||
| Duplicate | |||
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MakeProjectEntry Copies the atoms into a new project entry and includes it in the workspace |
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Ray Use PyMOL to make a ray-traced image |
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Extend Expand the selection to the atoms within X bonds of the ASL for this object |
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InvertCompleteSelection Invert or complete the selection within an object |
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| SelectWithinEntry | |||
| SelectWithinChain | |||
| SelectWithinResidue | |||
| SelectWithinMolecule | |||
| SelectWithinAny | |||
| SelectWithinCalpha | |||
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Expand Expand the selection to the atoms around the ASL for this object |
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| Around | |||
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EntrySubMenu A submenu that lists all enabled Entry objects |
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SelectionSubMenu A submenu that lists all enabled Entry objects |
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RestrictSelection Restrict the selection to a specific object |
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| RestrictToVisible | |||
| RestrictToPolymer | |||
| RestrictToOrganic | |||
| RestrictToSolvent | |||
| RestrictToInorganic | |||
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RestrictSubMenu The modify-restrict submenu of the action menu |
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IncludeInSelection Include a specific object in the selection |
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| IncludeVisibleInSelection | |||
| ExcludeFromSelection | |||
| ExcludeVisibleFromSelection | |||
| ExcludePolymerFromSelection | |||
| ExcludeOrganicFromSelection | |||
| ExcludeSolventFromSelection | |||
| ExcludeInorganicFromSelection | |||
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IncludeSubMenu The modify-include submenu of the action menu |
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ExcludeSubMenu The modify-exclude submenu of the action menu |
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AroundExpandSubMenu The modify-around submenu of the action menu |
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ExtendSubMenu The modify-extend submenu of the action menu |
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InvertSubMenu The modify-invert submenu of the action menu |
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CompleteSubMenu The modify-complete submenu of the action menu |
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ModifySubMenu The modify submenu of the action menu |
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PresetAction Base class for Preset Actions |
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| SimplePreset | |||
| BAndSPreset | |||
| BFactorPreset | |||
| TechnicalPreset | |||
| LigandPreset | |||
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PrettyPubPreset Show the object as nice-looking cartoon ribbons |
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| DefaultPreset | |||
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InterfaceMixin Determine the Protein-Protein interface atoms |
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| InterfacePreset | |||
| RegionInfo | |||
| AntibodyPreset | |||
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LigandSitesSubMenu The Action-Preset-Ligand Sites submenu |
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PresetSubMenu The Preset submenu |
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| PolarContactsObject | |||
| PolarContactsWithSidechains | |||
| PolarContactsWithSolvent | |||
| PolarContactsWithoutSolvent | |||
| PolarContactsWithoutMainchain | |||
| PolarContactsWithoutIntraMainchain | |||
| PolarContactsOnlySidechain | |||
| PolarContactsOnlyMainchain | |||
| PolarContactsToEntry | |||
| PolarContactsToEntryWithoutSolvent | |||
| PolarContactsToAnyAtoms | |||
| PolarContactsToAnyNonSolvent | |||
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FindPCSubMenu The Find Polar Contacts submenu |
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| RemovePC | |||
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PolarContactsSubMenu The Polar Contacts submenu |
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GenerateSelection Select the atoms, then generate a selection object from them |
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| GenerateInterfaceSelection | |||
| GenerateLigandSelection | |||
| GenerateSurfResSelection | |||
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GenSelectionSubMenu The Action Generate Selection submenu |
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GenerateSymmetryMates Generate all the symmetry mates and show those within X angstroms |
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| HideSymmetryMates | |||
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GenSymMatesSubMenu The Action Generate Symmetry Mates submenu |
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GenerateSubMenu The Action Generate submenu |
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| AddHydrogens | |||
| RemoveHydrogens | |||
| RemoveWaters | |||
| DeleteAtoms | |||
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HydrogenSubMenu The Action Hydrogen submenu |
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| CountAtoms | |||
| SumFormalCharge | |||
| SumPartialCharge | |||
| ComputeSurfaceArea | |||
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SurfaceAreaSubMenu The Action Surface Area submenu |
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ComputeSubMenu The Action Compute submenu |
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| DeleteSelections | |||
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ActionMenu The Action menu |
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| HideEverything | |||
| HideAtoms | |||
| HideNonBonded | |||
| HideRibbons | |||
| HideSurface | |||
| HideLabel | |||
| HideMainChain | |||
| HideSideChain | |||
| HideWaters | |||
| HideHydrogens | |||
| HideAllOthers | |||
| HidePolarHydrogens | |||
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HideHydrogenSubMenu The Hide Hydrogen submenu |
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HideMenu The Hide menu |
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LabelAtom A QAction that performs labels atoms with the given label |
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LabelAtomByProp Labels all atoms by a custom atom property |
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| LabelAtomByVDW | |||
| LabelAtomByOccupancy | |||
| LabelAtomByNumType | |||
| LabelAtomByStereo | |||
| LabelAtomByEntryIndex | |||
| LabelAtomByMolIndex | |||
| LabelResidues | |||
| LabelChains | |||
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LabelOtherSubMenu The Label Other Properties submenu |
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LabelAtomIdentSubMenu The Label Atom Identifiers submenu |
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LabelMenu The Label menu |
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ColorChooserPanel A window that lets the user choose a Maestro color. |
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| ColorRibbonMixin | |||
| CustomColor | |||
| ColorHydrogens | |||
| ColorCarbons | |||
| ColorHNOS | |||
| ColorObject | |||
| ColorRecentCarbons | |||
| ColorRecentHydrogens | |||
| ColorRecentObjects | |||
| ColorChains | |||
| ColorChainsByCarbon | |||
| ColorChainsByCalpha | |||
| ColorAtomsBySpectrum | |||
| ColorCarbonsBySpectrum | |||
| ColorCalphasBySpectrum | |||
| ColorAtomsByBFactor | |||
| ColorCalphasByBFactor | |||
| ColorChainbows | |||
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ColorLabel A label that shows off the color each element will be colored if this menu item is chosen. |
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RecentColorSubMenu A submenu that shows the most recently chosen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top. |
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RecentCarbonColorSubMenu A submenu that shows the most recently chosen carbon colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top. |
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RecentHydrogenColorSubMenu A submenu that shows the most recently chosen hydrogen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top. |
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RecentObjectColorSubMenu A submenu that shows the most recently chosen object colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top. |
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ColorByElementSubMenu The Color by Element submenu |
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ColorChainSubMenu The ColorChainSubMenu menu |
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ColorSpectrumSubMenu The ColorSpectrumSubMenu menu |
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| CustomRecentColor | |||
| ColorBySubstructure | |||
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ColorSubstructureSubMenu The ColorSubstructureSubMenu menu |
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| AutoCycleColor | |||
| AutoCycleCarbonColor | |||
| AutoColorObjects | |||
| AutoColorCarbons | |||
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AutoColorSubMenu The Color menu |
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ColorMenu The Color menu |
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ToggleState A MAction that toggles the enabled/disabled state of an object |
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ToggleVisibleObjectsState A MAction that toggles the enabled/disabled state of Visible objects |
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| DeleteAll | |||
| Reinitialize | |||
| Quit | |||
| Select | |||
| Disable | |||
| CreateEntry | |||
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GeneralContextSubMenu The submenu that contains all the main actions used for most context menus |
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SubstructureContextSubMenu The GeneralContextSubMenu for a right-click that is on an atom |
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ObjectFreeContextSubMenu The GeneralContextSubMenu for a right-click that is not on an object |
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ToggleStateSubMenu The submenu that allows the user to enable/disable individual objects |
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SelectedAtomContextActionSubMenu The submenu that allows the user to enable/disable individual objects |
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SelectedAtomContextMenu The context menu for right-clicks on selected atoms |
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AtomContextMenu The context menu for right-clicks on non-selected atoms |
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SpaceContextMenu The context menu for right-clicks in space |
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| tuple |
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| list or None |
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| list |
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| str |
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| str |
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| str |
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| iterable |
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| str or None |
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| list |
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| list |
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| tuple |
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| str |
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| str |
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| float or None |
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| list |
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maestro = FakeMaestro()
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TRIGGERED =
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DISULFIDE =
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BACKBONE =
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SIDECHAIN =
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POLYMER =
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SOLVENT =
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INORGANIC =
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PROT_AND_DNA_SELE =
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PYMOL_IONS =
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SOLVENT_AND_IONS =
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WATER =
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RIBBON_STYLE =
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THIN_TRACE =
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CALPHA_SCHEME =
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CHAIN_SCHEME =
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POSITION_SCHEME =
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NONE =
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TUBE =
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CARTOON =
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ATOM_NONE =
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BOND_NONE =
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CPK =
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ATOM_WIRE =
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BOND_WIRE =
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ATOM_BALLNSTICK =
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BOND_BALLNSTICK =
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MAESTRO_TO_STRUCT_STYLE =
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MMCT_TO_MAESTRO_RIBBON_STYLE =
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DARK_BLUE =
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BLUE =
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CYAN =
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SEAFOAM =
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DARK_GREEN =
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LIME =
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DEEPTEAL =
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HOTPINK =
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YELLOWORANGE =
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SLATE =
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YELLOW =
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LIGHTBLUE =
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GREEN =
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RED =
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WHITE =
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ORANGE =
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PINK =
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MAGENTA =
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DEEPRED =
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OLIVE =
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GREY =
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ATOM_RAINBOW_COLORS =
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RIBBON_RAINBOW_COLORS =
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PYMOL_COLOR_CYCLE =
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object_color_cycles =
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RT_COLOR_LABEL_START =
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RT_COLOR_LABEL_END =
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RT_TO_MAESTRO_COLORS =
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PARTIAL_CHARGE_4D =
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SURFACE_AREA_CUTOFF = 10.0
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PML_SURFACE =
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PML_PRESET_SURFACE =
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DAVE_DEBUG = False
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results_window = Nonehash(x) |
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toggle_table = NoneThe parent Toggle Table widget |
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rock_data = RockData(interval= 1, amount= 1, span= 25)
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mmshare_data =
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colorpath =
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colorfile = open(colorpath, 'r')
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color_dict = OrderedDict([((191, 0, 191), 'userQ'), ((225, 30,
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HYDROGEN_COLOR =
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CARBON_COLOR =
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OBJECT_COLOR =
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MAX_RECENT_COLORS = 12
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pref_dir = Nonehash(x) |
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color_path = Nonehash(x) |
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custom_color_dicts =
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color_file = open(color_path, 'r')
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__package__ =
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line =
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rgb =
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tokens =
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Show and restart the progress bar on the Toggle Table if the TT is defined
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Show the current progress on the progress bar on the Toggle Table if the TT is defined
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Get the atoms in the workspace structure that match the given asl
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Get the entries in the workspace structure are affected by the given asl
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Return list of the the Visible workspace atoms
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Return an ASL that represents the Visible workspace atoms
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Joins 2 asls with the given joiner (default is AND)
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Puts a modifier in front of asl - which it protects in ()'s to make sure the modifier applies to the whole asl
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Get the surfaces associated with entry_id entry
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Display atoms and bonds with the given style, and turn off ribbons and surfaces
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Display atoms and bonds with the given style, leaving ribbons as is
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Show ribbons
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Rotate the workspace back and forth smoothly by small degree increments over a span of degrees range. If called when rocking is currently occuring, will stop the rocking.
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Tries to display the image file in the default image viewer
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Ensure that filename ends with the proper extension
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Create a surface
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Find all the entries specified by the given owner or asl
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Finds the x,y,z coordinates of the center of the atoms
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Finds all polar contacts (hydrogen bonds) between asl1 and asl2.
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Hide the atoms given by asl
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Hide ribbons
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Hide a surface
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Hide the labels
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Hide atoms, ribbons and surfaces
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Create the Hide menu
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Maestro doesn't seem to clear labels correctly, so we have to turn them off manually. They disappear from the screen, but will show up the next time labels are added. So you end up with a long string of labels.
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Get a user-specified color from the list of known Maestro colors
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Colors the specified atoms with the given color
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Colors the specified atoms with the given RGB colors
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Form an ASL that restricts the given ASL to those atoms of a specific element
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Color H, C, N, O and S by colors
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The user has selected a new (or re-selected an existing custom set) - add it to the list of custom sets (or move it to the end) so it ends up at the top of the menu
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Maestro doesn't like blank chain names in ASL without quotes so add the quotes if necessary
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Returns the atom B-factor
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Divide atoms up into bins based on their B-factor (temperature factor). The groups are determined to span equal ranges of b-factor (some groups may therefore contain no atoms).
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Color all the atoms (and sometimes the ribbons) as chainbows
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Adds items common to many context menus
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PROT_AND_DNA_SELE
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SOLVENT_AND_IONS
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MAESTRO_TO_STRUCT_STYLE
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MMCT_TO_MAESTRO_RIBBON_STYLE
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ATOM_RAINBOW_COLORS
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RIBBON_RAINBOW_COLORS
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PYMOL_COLOR_CYCLE
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RT_COLOR_LABEL_START
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RT_TO_MAESTRO_COLORS
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mmshare_data
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colorpath
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color_dict
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custom_color_dicts
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| Generated by Epydoc 3.0.1 on Thu Mar 29 12:42:59 2012 | http://epydoc.sourceforge.net |