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Phase pharmacophore workspace markers.
Copyright Schrodinger, LLC. All rights reserved.
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PhaseFeatureMarker Class defining a single Phase marker. |
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PhaseSphere Phase sphere graphics object. |
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PhaseSphereMarkers Base class that defines group of sphere markers. |
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PhaseXvolMarkers Class that defines group of spheres for the excluded volume. |
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PhaseTolMarkers Class that defines group of tolerance spheres. |
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PhaseMarkers Class for adding pharmacophore feature markers and controlling their visibility. |
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tuple |
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phase.PhpSite |
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PhaseMarkers |
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hypothesis.PhaseHypothesis |
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maestro = schrodinger.get_maestro()
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markers = None hash(x) |
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LABEL_FONT_NAME =
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__package__ =
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Calculate coordinates of the projected point arrow tail position. Tail position is calculated in such a way that arrow cylinder 'grows' from the surface of the pharmacophore sphere.
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Updates a site with the given pharmacophore feature type, and if applicable assigns projected coordinates of the corresponding free-style site type.
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This function returns global PhaseMarkers object that should be used to generate Phase marker throughout Maestro session.
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Delays the call to show workspace phase markers with a single shot to allow for the project table project_model to update appropriately.
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Undisplay all atoms associated with the given entry id in the workspace ct. We manipulate the workspace directly here instead of issuing a maestro command so that we don't break the user's ability to undo inclusion (MAE-38226). This function should only be called when we need to bypass maestro command framework.
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Show reference ligand as a result of including hypothesis entry. @NOTE - MAE-38321, MAE-38324 This function has to be kept separate from _show_workspace_phase_markers() because it has to be executed immediately rather than running through single slot initiated to execute _show_workspace_phase_markers(). Any project changes have to run always under command execution code in order to allow UNDO. If this function is run through _show_workspace_phase_markers(), then command gets completed before executing this function and we lose the ability to undo.
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Get hypothesis associated with an entry id.
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Adds Phase pharmacophore site markers for given entries. Phase hypothesis should be associated with entry in order for the sites to be added. If Phase markers already exist for a given entry id nothing needs to be done.
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Removes Phase pharmacophore site markers for given entries.
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Sets entry ct property to a given value. This function is used to set special hypothesis properties that define whether excluded volumes, tolerances and reference structure should be visible.
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Toggles hypothesis properties which can be shown in the workspace for hypothesis with a given entry id.
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Toggles display of reference ligand in the Workspace for hypothesis with a given entry id.
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Toggles display of feature tolerance spheres in the Workspace for hypothesis with a given entry id.
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Toggles display of feature property labels for hypothesis with a given entry_id.
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Show glow effect when mouse is hovered on a phase marker.
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Remove glow effect when mouse is moved away from a phase marker.
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