Using the Keyboard in Maestro

Maestro makes use of many of the keyboard keys. It follows standard practice in the use of mnemonics for menus and menu items (Alt+key-sequence on Linux and Windows, key-sequence on Mac), the use of shortcut keys (Ctrl+key on Linux and Windows, key on Mac) for a range of operations, the use of F1 (fnF1 on Mac) to display help, and the use of Ctrl+W (⌘W) to close panels. Shortcut keys are described below, with the Mac version in parentheses. Lower case and upper case keys are handled separately. In the descriptions, a key without any qualifier is lower case.

Maestro uses the navigation keys in standard ways for navigating tables. It also uses these keys and some other keys for performing operations, as described below.

Maestro uses the Esc key for exiting various modes or operations:

  • full-screen mode
  • modal banners (closes the banner)
  • additive or subtractive selection mode
  • ePlayer continuous play
  • Trajectory viewer continuous play
  • Vibration animation
  • Structure monitoring
  • Quick structure minimization

When exiting modes, each press of the Esc key exits the highest priority mode that is in effect; the modes are given in order of priority above.

Note: Some key combinations do not work on non-English systems. In particular, Ctrl+= for full-screen mode does not work on German language systems, and ` (backquote) for Pick to Select does not work on French language systems. You can reassign shortcut keys in the Menu Shortcuts settings section of the Preferences Panel.

The keys used in various contexts are described in the tables below.

Project Table Navigation and Operation Keys

Keys Description

Up Arrow

Scroll the Project Table up one row

Down Arrow

Scroll the Project Table down one row

Right Arrow

For each included entry, replace that entry in the Workspace with the next selected entry in the Project Table.

Left Arrow

For each included entry, replace that entry in the Workspace with the previous selected entry in the Project Table.

Home

Scroll the Project Table to the top

End

Scroll the Project Table to the bottom

Page Up

Scroll the Project Table up one page

Page Down

Scroll the Project Table down one page

Shift+Page Up (⇧Page Up)

Scroll the Project Table up to the previous selected entry, expanding groups as necessary.

Shift+Page Down (⇧Page Down)

Scroll the Project Table down to the next selected entry, expanding groups as necessary.

Ctrl+Page Up (⌘Page Up)

Scroll the Project Table up to the previous included entry, expanding groups as necessary.

Ctrl+Page Down (⌘Page Down)

Scroll the Project Table down to the next included entry, expanding groups as necessary.

Shift+Up Arrow (⇧Up Arrow)

Scroll the Project Table up by one group.

Shift+Down Arrow (⇧Down Arrow)

Scroll the Project Table down by one group.

Shift+Right Arrow (⇧Right Arrow)

Include only the first selected entry in the next entry group.

Shift+Left Arrow (⇧Left Arrow)

Include only the first selected entry in the previous entry group.

Ctrl+Up Arrow (⌘Up Arrow)

Scroll the Project Table up by one group, expand the group and collapse all other groups.

Ctrl+Down Arrow (⌘Down Arrow)

Scroll the Project Table down by one group, expand the group and collapse all other groups.

Ctrl+Shift+Up Arrow (⇧⌘Up Arrow)

Scroll the Project Table up by one group; expand the group and collapse all other groups; and change the selection to only the entries in the expanded group.

Ctrl+Shift+Down Arrow (⇧⌘Down Arrow)

Scroll the Project Table down by one group, expand the group and collapse all other groups; and change the selection to only the entries in the expanded group.

Ctrl+Left Arrow (⌘Left Arrow)

ePlayer Go to Start (include first selected entry)

Ctrl+Right Arrow (⌘Right Arrow)

ePlayer Go to End (include last selected entry)

Ctrl+Enter (⌘Enter)

When editing a property value in a table cell, replace the property value in the selected table rows with the edited value.


Project Table Shortcut Keys

The keys listed below are the standard key assignments. You can reassign these shortcut keys in the Menu Shortcuts settings section of the Preferences Panel.

Keys Action Menu Equivalent

Ctrl+N (⌘N)

Create a new project. Opens a project selector in which you can navigate to a location and name the new project. The current project is closed, with a prompt to save it if it is a scratch project.

File → New Project

Ctrl+O (⌘O)

Open an existing project. Opens a project selector in which you can navigate to the desired project. The current project is closed, with a prompt to save it if it is a scratch project.

File → Open Project

Ctrl+W (⌘W)

Close the current project, with a prompt to save it if it is a scratch project. A scratch project is created to replace it.

File → Close Project

Ctrl+I (⌘I)

Import structures and their properties into the current project from one or more files. The import behavior is affected by settings and preferences.
Opens the Import Dialog Box.

File → Import Structures

Ctrl+Q (⌘Q)

Quit Maestro, on optional confirmation.
Opens the Quit dialog box.

File → Quit

Ctrl+F (⌘F)

Show or hide the Project Table — Find Toolbar to find and replace text in any table cell except the row number. This toolbar can also be displayed from the Project Table toolbar.

Window → Find + Replace Toolbar,
Window → Find + Replace Toolbar

Ctrl+A (⌘A)

Select all entries in the Project Table.

Select → All

Ctrl+U (⌘U)

Deselect all entries in the Project Table.

Select → None

Ctrl+X (⌘X)

Exclude (remove) the selected entries from the Workspace. Fixed entries are also removed with this command.

Table → Exclude

0

Set the number of stars for the selected entries to 0.

Table → Stars → None

1

Set the number of stars for the selected entries to 1.

Table → Stars → 1 (*)

2

Set the number of stars for the selected entries to 1.

Table → Stars → 2 (**)

3

Set the number of stars for the selected entries to 3.

Table → Stars → 3 (***)

*

Increment the number of stars assigned to the current entry in the Stars column of the Project Table. When the maximum number is reached, the next execution of this commands sets the number of stars to zero.

Table → Stars → Star Included Entries

X

Mark the entries that are included in the Workspace.

Table → Mark → Included

Del

Delete the selected entries and groups in the Project Table. The entries and groups are removed from the project.

Table → Delete

Ctrl+D (⌘D)

Duplicate the selected entries and place each new entry immediately below its source entry.

Table → Duplicate → In Place

Ctrl+Z (⌘Z)

Undo last command

Edit → Undo
in the main window

Ctrl+Shift+Z (⇧⌘Z)

Redo last undone command

Edit → Redo
in the main window


Main Window Shortcut Keys

The keys listed below are the standard key assignments. You can reassign these shortcut keys in the Menu Shortcuts settings section of the Preferences Panel.

If the 3D Builder panel is open, a single uppercase letter (Shift+letter) can be used to change the element—see Changing Bond Orders, Formal Charges, and Elements.

Keys Action Menu Equivalent

Right Arrow

Replace each entry in the Workspace that is not fixed in the Workspace with the next selected entry in the Entry List (Project Table).

 

Left Arrow

Replace each entry in the Workspace that is not fixed in the Workspace with the previous selected entry in the Entry List (Project Table).

 
Tab

Move the selection to the nearest hydrogen, when a single atom is selected. The nearest hydrogen is determined by the number of bonds between it and the selected atom. Repeated use of this shortcut moves the selection from the new hydrogen to another hydrogen on the same atom. If there are two hydrogens at the same distance from the original selection, the one with the highest atom number is selected (most recently added).

 

Ctrl+N (⌘N)

Create a new project. Opens a project selector in which you can navigate to a location and name the new project. The current project is closed, with a prompt to save it if it is a scratch project.

File → New Project

Ctrl+O (⌘O)

Open an existing project. Opens a project selector in which you can navigate to the desired project. The current project is closed, with a prompt to save it if it is a scratch project.

File → Open Project

Ctrl+W (⌘W)

Close the current project, with a prompt to save it if it is a scratch project. A scratch project is created to replace it.

File → Close Project

Ctrl+I (⌘I)

Import structures and their properties into the current project from one or more files. The import behavior is affected by settings and preferences.
Opens the Import Dialog Box.

File → Import Structures

Ctrl+Q (⌘Q)

Quit Maestro, on optional confirmation.
Opens the Quit dialog box.

File → Quit

Ctrl+Z (⌘Z)

Undo the last undoable action. The menu item changes to display the name of the last command executed.

Edit → Undo

Ctrl+Shift+Z (⇧⌘Z)

Redo the last undone action. The menu item changes to display the name of the last undone action.

Edit → Redo

Ctrl+X (⌘X)

Delete the selected atoms from the Workspace and place them on the clipboard. The atoms are added to the clipboard in Maestro format and in SMILES format. You can paste them into the Workspace at a later time, or paste them into another application as SMILES.
Keyboard shortcut: Ctrl+X (⌘X).

Edit → Cut

Ctrl+C (⌘C)

Copy the Workspace selection onto the clipboard, and copy an image of the Workspace. The clipboard stores the atoms in the selection in Maestro format and SMILES format, and an an image of the Workspace. The SMILES string and the image can be pasted into another application; the atoms can be pasted back into the Workspace. The resolution of the image is the current screen resolution, so if you want a higher resolution, you should use the Save Image panel.
Keyboard shortcut: Ctrl+C (⌘C).

Edit → Copy

Ctrl+V (⌘V)

Paste a structure from the clipboard into the Workspace. The structure can be a SMILES string, a structure from ChemDraw or Isis Draw (Windows) or a set of atoms previously cut or copied from the Workspace.
Keyboard shortcut: Ctrl+V (⌘V).
If the structure is a SMILES string, it is converted into a 2D structure. The 2d structure is added to the project as a new entry, with the SMILES string for the structure as the title. No attempt is made at 3D conversion. You should consider running LigPrep to convert the structure to 3D.
If you paste a set of atoms that were cut or copied from Maestro, they are placed at the coordinates at which they were cut or copied onto the clipboard. You can paste atoms from one Maestro session into another session.

Edit → Paste

Ctrl+Shift+V (⇧⌘V)

Place the structure centroid by picking a location in the Workspace. This is useful when there are other structures that you want to position the structure near, or when the coordinate origin is off-screen. When you select this option, the pointer changes to an arrow, to indicate that you are picking a location in the Workspace to paste the structure, rather than an atom.

Edit → Paste Special → By Placing

Del

Delete the selected atoms. The atoms are removed from the structures as well as from the Workspace.

Edit → Delete Atoms

Ctrl+M (⌘M)

Minimize the energy with respect to the coordinates for the selected atoms in the Workspace. If no atoms are selected, the energy is minimized for all atoms.

Edit → Minimize → Selected Atoms

Ctrl+Shift+M (⇧⌘M)

Minimize the energy with respect to the coordinates for the ligand atoms in the Workspace.

Edit → Minimize → Ligand

Ctrl+B (⌘B)

Minimize the energy with respect to the coordinates for the ligands and their binding sites in the Workspace. The atoms minimized are the ones selected by choosing Select → More ObjectsBinding Sites + Ligands. By default, these include receptor residues within 5Å of a ligand.

Edit → Minimize → Binding Sites + Ligands

*

Increment the number of stars assigned to the current entry in the Stars column of the Project Table. When the maximum number is reached, the next execution of this commands sets the number of stars to zero.

Table → Stars → Star Included Entries

Ctrl+, (⌘,)

Set preferences for Maestro appearance and behavior.
Opens the Preferences Panel.

Edit → Preferences

X

Mark the entries that are included in the Workspace.

Edit → Mark → Included

A

When picking in the Workspace, apply the action to the picked atom.

Select → Set Pick Level → Atoms

R

When picking in the Workspace, apply the action to the picked residue.

Select → Set Pick Level → ResiduesSelect → Set Pick Level → Repeating Units

C

When picking in the Workspace, apply the action to the picked chain.

Select → Set Pick Level → Chains

M

When picking in the Workspace, apply the action to the picked molecule.

Select → Set Pick Level → Molecules

E

When picking in the Workspace, apply the action to the picked entry.

Select → Set Pick Level → Entries

+

Turn picking to add atoms to the selection on or off. You can temporarily turn additive selection on by holding down the Shift key.

Select → Pick to Select → Add

_

Turn picking to remove atoms from the selection on or off.

Select → Pick to Select → Remove

Ctrl+A (⌘A)

Select all atoms in the Workspace, including undisplayed atoms.

Select → All

Ctrl+U (⌘U)

Clear the atom selection.

Select → None

P

Select the previous residue in the chain, if a single residue is selected.

Select → Previous Residue

N

Select the next residue in the chain, if a single residue is selected.

Select → Next Residue

Ctrl+1 (⌘1)

Store the current atom selection in location 1.

Select → Quick Save (within session) → Selection 1

Ctrl+2 (⌘2)

Store the current atom selection in location 2.

Select → Quick Save (within session) → Selection 2

Ctrl+3 (⌘3)

Store the current atom selection in location 3.

Select → Quick Save (within session) → Selection 3

Ctrl+4 (⌘4)

Store the current atom selection in location 4.

Select → Quick Save (within session) → Selection 4

Ctrl+5 (⌘5)

Store the current atom selection in location 5.

Select → Quick Save (within session) → Selection 5

Ctrl+6 (⌘6)

Store the current atom selection in location 6.

Select → Quick Save (within session) → Selection 6

Ctrl+7 (⌘7)

Store the current atom selection in location 7.

Select → Quick Save (within session) → Selection 7

Ctrl+8 (⌘8)

Store the current atom selection in location 8.

Select → Quick Save (within session) → Selection 8

Ctrl+9 (⌘9)

Store the current atom selection in location 9.

Select → Quick Save (within session) → Selection 9

Ctrl+0 (⌘0)

Store the current atom selection in location 10.

Select → Quick Save (within session) → Selection 10

1

Apply stored atom selection 1 to the Workspace.

Select → Restore Quick Save → Selection 1

2

Apply stored atom selection 2 to the Workspace.

Select → Restore Quick Save → Selection 2

3

Apply stored atom selection 3 to the Workspace.

Select → Restore Quick Save → Selection 3

4

Apply stored atom selection 4 to the Workspace.

Select → Restore Quick Save → Selection 4

5

Apply stored atom selection 5 to the Workspace.

Select → Restore Quick Save → Selection 5

6

Apply stored atom selection 6 to the Workspace.

Select → Restore Quick Save → Selection 6

7

Apply stored atom selection 7 to the Workspace.

Select → Restore Quick Save → Selection 7

8

Apply stored atom selection 8 to the Workspace.

Select → Restore Quick Save → Selection 8

9

Apply stored atom selection 9 to the Workspace.

Select → Restore Quick Save → Selection 9

0

Apply stored atom selection 10 to the Workspace.

Select → Restore Quick Save → Selection 10

Ctrl+F (⌘F)

Display the Find toolbar so that you can find structural objects in the Workspace.

Select → Find

Ctrl+Shift+N (⇧⌘N)

Create a new project entry from the Workspace structure. A dialog box is displayed, in which you can enter a title for the entry, and choose whether to create the entry from all atoms, the selected atoms, or the displayed atoms.

Workspace → Create Project Entry

Ctrl+Y (⌘Y)

Apply the currently defined style to the atoms in the Workspace.

Workspace → Preset Style → Apply Default Custom PresetWorkspace → Preset Style → Apply Custom Preset

Ctrl+< (⌘<)

Display the previous scene in the Workspace.

Workspace → Project Scenes → Previous Scene

Ctrl+> (⌘>)

Display the next scene in the Workspace.

Workspace → Project Scenes → Next Scene

Z

Fit the selected atoms (or all atoms, if there is no selection) to the Workspace. The view changes so that the selected atoms fill the Workspace area, within a predefined margin. See Zooming and Fitting for more information.

View → Fit → Selected

L

Fit the ligand to the Workspace, or if there is more than one ligand-sized molecule, fit the next ligand. The view changes so that the ligand fills the Workspace area, within a predefined margin. See Zooming and Fitting for more information.

View → Fit → Ligand

/

Rotate the Workspace around the x axis in a clockwise direction by the keyboard rotation increment.

View → Rotate → -X

;

Rotate the Workspace around the x axis in an anticlockwise direction by the keyboard rotation increment.

View → Rotate → +X

,

Rotate the Workspace around the y axis in a clockwise direction by the keyboard rotation increment.

View → Rotate → -Y

.

Rotate the Workspace around the y axis in an anticlockwise direction by the keyboard rotation increment.

View → Rotate → +Y

[

Rotate the Workspace around the z axis in a clockwise direction by the keyboard rotation increment.

View → Rotate → -Z

]

Rotate the Workspace around the z axis in an anticlockwise direction by the keyboard rotation increment.

View → Rotate → +Z

?

Translate the Workspace in the −x direction by the keyboard translation increment.

View → Translate → -X

:

Translate the Workspace in the +x direction by the keyboard translation increment.

View → Translate → +X

<

Translate the Workspace in the −y direction by the keyboard translation increment.

View → Translate → -Y

>

Translate the Workspace in the +y direction by the keyboard translation increment.

View → Translate → +Y

{

Translate the Workspace in the −z direction by the keyboard translation increment.

View → Translate → -Z

}

Translate the Workspace in the +z direction by the keyboard translation increment.

View → Translate → +Z

K

Zoom in by a small increment.

View → Zoom In

J

Zoom out by a small increment.

View → Zoom Out

-

Move the clipping planes away from the viewer.

View → Move Clipping Planes → Back

=

Move the clipping planes toward the viewer.

View → Move Clipping Planes → Forward

F

Move the front plane away from the viewer and the back plane toward the viewer (decreases the viewing volume).

View → Move Clipping Planes → Together

G

Move the front plane toward the viewer and the back plane away from the viewer (increases the viewing volume).

View → Move Clipping Planes → Apart

Ctrl+L (⌘L)

Arrange the Workspace entries or surfaces in a rectangular grid of "tiles". See Tiling the Workspace for more information.

View → Tile

Ctrl+S (⌘S)

Turn stereo viewing on or off. See the 3D settings section of the Preferences Panel for more information.

View → Stereo

Ctrl+= (⌘=)

Expand the size of the Workspace so that it occupies the entire screen of your monitor (or laptop).

View → Full Screen

Ctrl+T (⌘T)

Show the contents of the project in a table view that has all the tools for project operations.
Opens the Project Table Panel.

Window → Project Table

Ctrl+E (⌘E)

Show a list of project entries in a panel that is docked into the Workspace by default.
Opens the Entry List / Structure Hierarchy panel.

Window → Entry List / Structure HierarchyWindow → Entry List

Ctrl+Shift+I (⇧⌘I)

Show or hide the Commands text box, for execution of Maestro commands.

Window → Command Input Area

S

Display or undisplay entry information in the Workspace for a single "target" entry, subject to the related preference.

Inin the Maestro main window, choose Window → Workspace Properties

Ctrl+D (⌘D)

Edit and replay a Maestro command script.
Opens the Command Script Editor Panel.

Window → Command Script Editor

Ctrl+H (⌘H)

Open the documentation at the Getting Help topic in your browser. This topic explains the help system and has links to several other locations at which you can find information.

Help → Search All Documentation


Text Editing Shortcut Keys

Keys Action Shortcut Menu Equivalent

Ctrl+A (⌘A)

Select all text

Select All

Ctrl+C (⌘C)

Copy the selected text onto the clipboard

Copy

Ctrl+V (⌘V)

Paste the text into the text area at the cursor location

Paste

Ctrl+X (⌘X)

Delete the selected text from the text area and place it on the clipboard

Cut

Ctrl+Z (⌘Z)

Undo the last operation

Undo

Ctrl+Shift+Z (⇧⌘Z)

Redo the last undone operation

Redo