schrodinger.application.pymol.pymol4maestro module

This script provides a panel for single-click transfer of the workspace or selected entries into PyMOL while preserving much of the Maestro display state including visible representations, camera zoom and position, clipping planes, and colors.

NOTICE: Requires Incentive PyMOL (does not work with Open-Source PyMOL).

For information on obtaining access to commercial PyMOL builds to use with this script, please contact Schrodinger directly via sales@schrodinger.com.

class schrodinger.application.pymol.pymol4maestro.EntryMode

Bases: Enum

Workspace = 1

ProjectTableSelected = 2

ProjectTableAll = 3

class schrodinger.application.pymol.pymol4maestro.panel

Bases: object

Class for the control panel

degree_seconds_mapping_dict = {30: [2, 4, 8], 60: [4, 8, 16], 90: [6, 12, 24], 120: [8, 16, 32]}

__init__()

updateScenesRB()

Update scenes rb UI component before showing the panel

scenesChecked(checked)

Called when scenes_rb checked

Parameters:

checked (bool) – True if scenes_rb is ‘checked’

updateMovieOptions(checked)

Update movies options Called when movie_cb checked and from scenesChecked

Parameters:

checked (bool) – True if movie_cb is ‘checked’

degreesCurrentIndexChanged(index)

Called when degrees_cb index changed

Parameters:

index (int) – the index of the degrees_cb

store_prefs()

Store applicable GUI state to preferences.

help()

Open the documentation dialog

browse()

Open a file dialog to browse for the pymol executable. Updates the pymol_location_le widget and the pymol_location preference on success.

launch()

Launch a new PyMOL instance and append it to self.instances.

send(command, recurse=False)

Send command to active PyMOL instance.

Parameters:

• command (str) – Command to send

• recurse (bool) – If more than one PyMOL instance has been opened and the most recent one is not alive anymore, remove it and try the next one.

Returns:

The PyMOL instance on success, or None if the command could not be sent.

isAlive()

Return true if there is an active PyMOL instance :rtype: bool

slotSend()

Slot for the “Send” button. Shows a popup on error.

send_entries(limit)

Send entries from the project table to PyMOL :param limit: See schrodinger.utils.pymol.process_prj

send_settings()

Transfer various configuration options from Maestro

send_workspace()

Send workspace configuration options and included entries.

send_scenes()

Send project scenes

mimic()

toggle_maestro_mouse(state)

Change the mouse mode in PyMOL :type state: bool :param state: If true, emulate Maestro mouse actions, otherwise use PyMOL’s default mouse mode

schrodinger.application.pymol.pymol4maestro.show_panel()