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Maestro 10.2 User Manual
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2.4.3
The Workspace Toolbar
This toolbar contains buttons for some common Workspace operations, and buttons for
creating and managing scenes.
2.5
The Status Bar
The status bar displays information about the contents of the Workspace or about a particular
atom, depending on where the pointer pauses. If the pointer is not over an atom, information
about the contents of the Workspace is displayed, in the format
Atoms:
sa/ma/na Entries:me/ne Res:nr Chn:nc Mol:nm Chg:n
where the fields in the display have the following meanings:
Create Entry
Create an entry in the current project using the contents of the Workspace. Opens a dialog box
in which you can supply a title for the entry, and choose whether to create the entry from all
atoms, the selected atoms, or the displayed atoms. If all the atoms in the new entry come from
entries in the same entry group, the new entry is added to the same group, otherwise it is added
to the ungrouped entries in the Project Table.
Menu equivalent:
Workspace
→
Create Project Entry
.
Clear
Clear the Workspace. Excludes all entries in the Project Table, and deletes the contents of the
scratch entry, if there is one.
Menu equivalent:
Workspace
→
Clear
.
Save Image
Save an image of the Workspace to a file in TIFF, JPEG, or PNG format, in the
Save Image
panel.
Menu equivalent:
Workspace
→
Save Image
.
New Scene
Create a new “scene”, which is a snapshot of part or all of the project, including the Work-
space content and display settings. Opens the
New Scene
dialog box, in which you can pro-
vide a description and choose which parts of the project to include in the scene.
Menu equivalent:
Workspace
→
Scenes
→
New
.
View Scenes
Enter a mode in which you view scenes. The
Scenes
toolbar is displayed in a bar at the bot-
tom of the Workspace, and the selected scene is opened. While you are viewing scenes, no
changes are made to the project.
Menu equivalent:
Workspace
→
Scenes
→
View
.
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If the pointer is over an atom, and the preference to show feedback on atoms is set, the status
bar displays the chain, residue number, element, PDB atom name, formal charge, and a user-
selected property, in the format
atom:
chain:
residue number :(
element)
PDB :
charge:"
userchoice"
where the fields in the display have the following meanings:
If you are picking an object in the Workspace and you have the preference set, the index of the
object is displayed at the beginning of the status bar, in the format Pick: index. For example,
if you are picking molecules, the molecule number is displayed.
The preferences to show feedback and the user-selected property can be set under
Feedback –
Atoms
in the
Preferences
panel—see
Section 14.5.1 on page 358
.
On the left of the status bar is a button that displays job status information. The text on the
button gives the number of jobs in the format
Jobs:
mj/
nj, where
mj is the number in the
project and nj is the total number. Clicking the button opens the
Monitor
panel. The tool tip for
the button displays information on the status of the first few jobs in the
Monitor
panel.
Atoms
Number of atoms in the Workspace:
sa is the number selected,
ma is the number
displayed, na is the total
Entries
Number of entries in the Workspace: me is the number displayed, ne is the total
Res
Number of residues nr in the Workspace
Chn
Number of chains nc in the Workspace
Mol
Number of molecules nm in the Workspace
Chg
Total charge n of the Workspace contents
atom
Atom number in the Workspace
chain Chain
name
residue
Residue name
number
Residue number and insertion code
element
Element
PDB
PDB atom name
charge
Formal charge of the atom
userchoice
Selected Project Table property
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2.6
The Sequence Viewer
The sequence viewer displays the sequence of the proteins that are included in the Workspace.
Each chain is displayed on a separate line. If a protein contains waters, ions, or ligands
2
, each
of these groups of molecules is displayed on a separate line. If the sequence is longer than a
single line, the entire set of lines is continued below the first set of lines (“wrapped”) by
default. (You can unset a preference if you want them to scroll horizontally instead.) The left
column of the sequence viewer displays a label for the sequence, in the format
row:
pdbID_
chainID, where
row is the Project Table row number. The right column displays
the actual sequence as a list of single-letter codes, and also displays the secondary structure
assignment, if one is available.
The background colors of the sequences reflect the current coloring scheme for the alpha
carbon in the Workspace. Each residue in the sequence also has a tooltip that gives the residue
name, number, and insertion code.
If the protein has a secondary structure assignment, the assignment is displayed above the
sequence, using the following symbols:
• Helices are displayed as tubes, colored red
• Strands are displayed as arrows, colored cyan
• Loops are displayed as a gray line.
You can select residues in the sequence and perform actions on these residues.
• To select a single residue, click the residue.
• To add single residues to the selection or remove single residues from the selection, con-
trol-click the residues.
• To select a range of residues, click the first and shift-click the last, or drag over the resi-
dues. If the sequence viewer is wrapped, you can drag over multiple rows to select resi-
dues in more than one row (but only in the sequence in which you started dragging).
• To change the selection of a contiguous set of residues, hold down the
CTRL
key and drag
over the set of residues. The unselected residues are selected, and the selected residues
are deselected. This can be used to extend the selection or add a discontinuous sequence
fragment to the selection, for example.
The selected residues are highlighted in reverse video (as colored letters on a black back-
ground), and are marked in yellow in the Workspace.
2.
These entities are defined by the corresponding ASL expressions. “Ligands” are defined by ligand detection set-
tings; “ions” are a small set of ionic species commonly found in or used with proteins.