schrodinger.maestro.markers module

Module for placing markers in the Workspace.

class schrodinger.maestro.markers.Icons

Bases: object

Constants for marker icons

NONE

Used by autodoc_mock_imports.

LOCK

Used by autodoc_mock_imports.

SPRING

Used by autodoc_mock_imports.

EYE

Used by autodoc_mock_imports.

EQUALS

Used by autodoc_mock_imports.

FRAGMARK

Used by autodoc_mock_imports.

CHECKMARK

Used by autodoc_mock_imports.

DIAMOND

Used by autodoc_mock_imports.

RSI

Used by autodoc_mock_imports.

TRANSROT

Used by autodoc_mock_imports.

TORSIONROTATE

Used by autodoc_mock_imports.

CHECK

Used by autodoc_mock_imports.

SCISSORS

Used by autodoc_mock_imports.

BREAK

Used by autodoc_mock_imports.

DDRIVE

Used by autodoc_mock_imports.

LONEPAIR

Used by autodoc_mock_imports.

SMAGGLASS

Used by autodoc_mock_imports.

GMAGGLASS

Used by autodoc_mock_imports.

MAGGLASS

Used by autodoc_mock_imports.

WMAGGLASS

Used by autodoc_mock_imports.

IMAGGLASS

Used by autodoc_mock_imports.

VMAGGLASS

Used by autodoc_mock_imports.

EMAGGLASS

Used by autodoc_mock_imports.

ARROWDOWN

Used by autodoc_mock_imports.

SCANATOM

Used by autodoc_mock_imports.

SCANDIST

Used by autodoc_mock_imports.

SCANANGLE

Used by autodoc_mock_imports.

class schrodinger.maestro.markers.Marker(name=None, asl='NOT all', color=(1, 1, 1))

Bases: object

Class to manipulate a set of markers in the Workspace by ASLs. The only parameter that can be controlled is the color of the marker.

This marker is useful for showing a picked ligand or residue, for example.

hide()

Hide the markers

show(asl=None)

Show the markers. If a new ASL is shown, then the previous markers get cleared and the new atoms are marked.

Parameters:asl (str) – The ASL defining which atoms should be marked. This replaces any previous ASL marked by this Marker instance.

setVisible(show)

Show the marker if <show> is True; hide otherwise. Useful for hooking up to a slot of a QCheckBox.

setAsl(asl)

Update the ASL of this marker to the given string, without affecting the visibility of it.

class schrodinger.maestro.markers.AtomMarker(atom, marker_color=None, icon=<sphinx.ext.autodoc.importer._MockObject object>, alt_color=None, highlight=False)

Bases: schrodinger.maestro.markers._BaseMarker

Class for marking a single atom.

SETTINGS_VARS = {'icon', 'alt_color', 'highlight', 'color'}

setText(text)

Change the marker text

Parameters:text (str) – The text to display next to the marker. If not given, no text will be displayed.

class schrodinger.maestro.markers.PairMarker(atom1, atom2, marker_color=None, icon=<sphinx.ext.autodoc.importer._MockObject object>, text='', alt_color=None, highlight=False)

Bases: schrodinger.maestro.markers._BaseMarker

Class for marking two atoms. Useful for marking bonds and distances.

class schrodinger.maestro.markers.TripleMarker(atom1, atom2, atom3, marker_color=None, icon=<sphinx.ext.autodoc.importer._MockObject object>, text='', alt_color=None, highlight=False)

Bases: schrodinger.maestro.markers._BaseMarker

Class for marking three atoms. Useful for marking bond angles.

class schrodinger.maestro.markers.QuadMarker(atom1, atom2, atom3, atom4, marker_color=None, icon=<sphinx.ext.autodoc.importer._MockObject object>, text='', alt_color=None, highlight=False)

Bases: schrodinger.maestro.markers._BaseMarker

Class for marking four atoms. Useful for marking dihedral angles.

class schrodinger.maestro.markers.LineMarker(coord1, entry_id1, coord2, entry_id2, marker_color=None, alt_color=None, line_width=1)

Bases: schrodinger.maestro.markers._BaseMarker

Class for marking two arbitrary points. Useful for marking lines between two graphics3d objects.

update()

See parent class documentation.

Update the marker in response to the workspace contents changing. If either one of the entries the marker vertices belong to is no longer included in workspace, the marker will be deleted.

exception schrodinger.maestro.markers.NotInWorkspaceError

Bases: Exception

An exception when trying to display a marker covering atoms that are not currently in the workspace.