Maestro User Manual

Chapter 2: The Maestro Main Window

Maestro 10.2 User Manual

37

•

Residue type

—Choose a residue type from the option menu. This menu includes only the

residues that are present in the Workspace. 

•

Secondary structure

—Choose a secondary structure element from the option menu, from

Helix

, 

Loop

, or 

Strand

.

•

Element

—Enter a standard element symbol in the text box, e.g. Cl. 

•

PDB atom name

—Enter a standard PDB atom name in the text box, e.g. CA. Spaces are

significant, as 'CA

'

 and ' CA ' are not the same. 

•

Specified atoms

—Enter an ASL expression in the text box, or click 

Select

 to open the

Atom Selection

 dialog box and make an atom selection. This tool can be used to find

objects that are not on the menu. For example, to find molecule number 3, enter mol.num

3 in the text box. 

When you do the search, all instances of the object that match are located. The number of

matched objects and the index of the current matched object is shown in a text area. You can

step through the instances with the 

N

 (next) and 

P

 (previous) buttons. The instance of the

object that you step to becomes the Workspace selection. If you want to fit the object to the

Workspace, select 

Fit

. 

If there is only one match, the 

N

 and 

P

 buttons are disabled after the match is found. In this

case, if you want to find the match again, click in the text box and press 

ENTER

. These buttons

are always disabled for 

Atom number

, so you must press 

ENTER

 to find an atom by number.

If you have a single residue selected, you can step through the residues in sequence by pressing

the 

N

 or 

P

 keys. If you reach the end of the chain, the next residue found is the lowest residue

in the next chain or the highest residue in the previous chain.

2.11 Undoing Workspace Operations

Single operations in the Workspace can be undone by choosing 

Undo

  action  from the 

Edit

menu. This item is dynamic: its name includes a description of the last undoable action, and

changes to 

Redo

 after it has been used. Selecting 

Redo

 action reimplements the action that was

undone. This menu item is mapped to the 

Undo/Redo

 button on the toolbar. 

To undo the last operation, do one of the following:

• Click  the 

Undo/Redo

 button on the toolbar. 

• Choose 

Undo 

action from the 

Edit

 menu. 

---

Chapter 2: The Maestro Main Window

Schrödinger Software Release 2015-2 

38

• Press 

CTRL+Z

.

If you want to be able to undo more than one operation, you can define an Undo block. The

Undo block groups a sequence of commands so that the effect of the entire sequence can be

reversed. This is particularly useful for risky or complicated procedures.

To define an Undo block:

1. Enter beginundoblock in the Command Input Area.

2. Perform the sequence of operations that you want to be able to undo.

3. Enter endundoblock in the Command Input Area.

To undo the operations in an Undo block:

• Choose 

Undo

 action from the 

Edit

 menu, press 

CTRL+Z

, or click the 

Undo/Redo

 button in

the toolbar.

As for a single action, the 

Undo

 option for a block changes to 

Redo

 once you have used it.

Maestro can perform certain actions (such as job monitoring) from within undo blocks. These

actions might prevent the entire sequence of operations from being undone.

2.12 Running Maestro Commands

Maestro uses a command language for performing most of its operations. You can use this

language in Maestro, by entering commands in the 

Commands

 text box, also known as the

Command Input Area. To display this tool, choose 

Window 

→

 Command Input Area

, or type

CTRL+SHIFT+I

. The commands are given in the 

Maestro Command Reference Manual

.

The 

Commands

 text box has access to the command history, which you can navigate with the

UP ARROW

 and 

DOWN ARROW

 keys. When you start typing a command, a completion list is

shown below the text box, and you can choose the desired command from this list.

2.13 Ending a Maestro Session

To end a Maestro session, choose 

Quit

 from the 

Maestro

 menu, or type 

CTRL+Q

. The 

Quit

Maestro

 panel opens, offering the opportunity to cancel the quit operation. If you do not want

the 

Quit Maestro

 panel to open, select 

Do not show again

, or deselect 

Warn when quitting

Maestro

 in the 

Preferences

 panel, under 

General – Quitting Maestro

.

If you continue with quitting Maestro, several other actions may take place that depend on

preferences set under 

General – Quitting Maestro

 in the 

Preferences

 panel. See 

Section 14.1.7

on page 339

 for a description of these preferences.

---