Chapter 4: Viewing the Workspace
Maestro 10.2 User Manual
65
4.2.1
Translating the View
Translations can be carried out with the right mouse button, as described in
Table 4.1
.
You can perform translations in increments along the x, y, and z axes with the keyboard keys
and the corresponding items under
View
→
Translate
. The keys are described in
Table 2.7 on
page 32
.
You can also do a translation by “spot-centering”, an action that places the coordinate origin of
the view on a particular atom, which then appears at the center of the Workspace. As a conse-
quence, subsequent rotations of the view are performed about this atom. This action is done by
right-clicking on the atom.
In addition to the mouse controls, a number of global transformations are available from the
View
menu and the main toolbar.
4.2.2
Rotating the View
In addition to the rotations that can be performed with the middle mouse button, there are a
number of other actions that perform a rotation.
On the toolbar, there are two buttons for rotation by 90
° about the x axis or the y axis:
These buttons have corresponding menu items,
View
→
Rotate
→
X 90
and
View
→
Rotate
→
Y 90
.
You can perform rotations in increments about the x, y, and z axes with the keyboard keys and
the corresponding items under
View
→
Rotate
. The keys are described in
Table 2.7 on page 32
.
Another rotation that you can perform is to align the view so that selected atoms are lying on
one of the Cartesian axes or planes. This action is performed in the
Align Atoms
panel, which
you open by choosing
View
→
Align
.
To align two atoms to one of the Cartesian axes, select the axis, select
Pick atoms
, then pick the
two atoms. A purple cube is drawn around the first atom when you pick it, and the alignment is
performed when you pick the second atom. The view is rotated through the smallest possible
angle to perform the alignment.
Chapter 4: Viewing the Workspace
Schrödinger Software Release 2015-2
66
Figure 4.1. The Align Atoms panel.
To align three atoms to one of the Cartesian planes, select the plane, then use the picking tools
in the
Pick atoms to align
section to pick the three atoms. When the third atom is picked and a
check is performed to ensure that the plane is uniquely defined (i.e. the atoms are not
collinear), a blue-green plane is displayed in the Workspace, and the
Align
button becomes
available. Click this button to perform the alignment. The view is rotated through the minimum
angle required to bring the selected atoms into alignment with the chosen plane. If you do not
want to see the plane, deselect
Markers
.
When you have done the alignment, you can also change the coordinates of the structure to
those of the current view, by clicking
Update Coordinates
. The structure itself is then aligned
on the axis or plane, and not just the view of the structure.
4.2.3
Zooming In and Out
Zooming in and out can be done with the scroll wheel, with the middle and right mouse buttons
(held down together), with
SHIFT+CTRL
and the middle mouse button, or with the pinch
gesture on a trackpad. The keys
K
and
J
are assigned to zooming in and zooming out, in small
increments. Each press of one of these keys corresponds to one click of the scroll wheel, and
you can hold the keys down for continuous zoom.
Another way of zooming is to use the
Fit to Workspace
button on the toolbar, which zooms in
or out so that the atom selection fills the Workspace (or all atoms, if there is no selection).
You can perform a fit to the Workspace from the
View
menu. The
Fit to Workspace
submenu
offers the choices of
Selected Atoms
(shortcut
Z
),
All
, or
Ligand
(shortcut
L
). Choosing
All
allows you to fit the entire structure to the Workspace without changing the selection.
Chapter 4: Viewing the Workspace
Maestro 10.2 User Manual
67
4.2.4
Restoring the Default View
To restore the view to the default view, in which the view axes are aligned with the coordinate
axes of the structure, click the
Reset View
button on the toolbar.
4.2.5
Setting the View Origin and Rotation Center
By default, the origin of the view coordinate system moves when you translate a structure, so
that rotation of the view has the same effect on the structures no matter where they are trans-
lated to. The origin is changed by spot-centering, which was described in
Section 4.2.1 on
page 65
. The origin is reset when you restore the default view, and it is also set when you do a
Fit to Workspace.
If you want the center for rotation to stay at the same location regardless of how you translate
the structures, you can set a preference in the
Preferences
panel. Choose
Maestro
→
Prefer-
ences
to open the panel, then in the
Workspace
tab, select
Keep center of rotation fixed while
translating
. The rotation center is then decoupled from the translation origin, and remains at the
location of the view origin when you selected the option. If you want the center for rotation to
stay at the center of the Workspace, reset the view first, then select the option.
If you want to display the center for rotation, select
Display center of rotation
in the
Workspace
tab of the
Preferences
panel.
4.3
Saving, Restoring, and Managing Views
When you have set up the view of the Workspace for a particular purpose—for example, with a
particular view of a binding pocket—you can save the view for future use. Views can be saved
with a name, restored, and even played through. The tools for working with views are available
from the
View
menu and the
Saved Views
toolbar, which you display by choosing
Window
→
Toolbars
→
Saved Views
, or by clicking the
Saved Views
button on the
Manager
toolbar. The
toolbar buttons are described below.
Save
Save the current view of the Workspace (orientation, location, and zoom) as a saved view.
Opens a dialog box in which you can name the view.
Menu equivalent:
View
→
Save
.
Previous
Apply the previous view in the list of saved views to the Workspace.
Menu equivalent:
View
→
Restore View
→
Previous
.
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