Contents
Schrödinger Software Release 2015-2
viii
7.6.3
Surfaces .......................................................................................................... 159
Chapter 8:
Labeling and Annotating the Workspace
................................. 161
8.1
The Labels Toolbar
................................................................................................ 161
8.2
Labeling Atoms
...................................................................................................... 162
8.3
Labeling Bonds
...................................................................................................... 166
8.4
Captions
.................................................................................................................. 167
8.5
Highlights
................................................................................................................ 168
8.5.1
Creating and Editing Highlights....................................................................... 169
8.5.2
Adding Text and an Arrow to a Highlight ......................................................... 170
8.5.3
Displaying Highlights....................................................................................... 170
8.6
Displaying Entry Properties
................................................................................ 171
8.7
Other Objects
......................................................................................................... 171
Chapter 9:
Projects
............................................................................................................ 173
9.1
Project Operations
................................................................................................ 173
9.1.1
Creating and Opening Projects....................................................................... 173
9.1.2
Saving and Closing Projects ........................................................................... 174
9.1.3
Backing Up Projects........................................................................................ 176
9.1.4
Recovering Projects ........................................................................................ 176
9.1.5
Deleting Projects............................................................................................. 177
9.1.6
Undoing Project Operations............................................................................ 177
9.1.7
The Project Selector Panels............................................................................ 177
9.1.8
The Project Summary Panel ........................................................................... 178
9.2
Adding Entries to a Project
................................................................................. 179
9.2.1
Importing Structures From a File .................................................................... 179
9.2.2
Creating Entries From Workspace Structures................................................. 179
9.2.3
Pasting Structures Into the Workspace........................................................... 180
9.2.4
Incorporating Entries From Job Output........................................................... 180
9.2.5
Merging Entries From Another Project............................................................ 180
9.3
Using Scenes
......................................................................................................... 181
Contents
Maestro 10.2 User Manual
ix
9.4
The Project Table Panel
........................................................................................ 183
9.4.1
The Project Table Toolbars.............................................................................. 184
9.4.1.1
Project Toolbar
..................................................................................... 184
9.4.1.2
Property Toolbar
.................................................................................. 185
9.4.2
The Project Table Menus ................................................................................ 186
9.4.3
The Project Status Bar.................................................................................... 186
9.4.4
Mouse Functions in the Project Table ............................................................. 186
9.4.5
Project Table Shortcut Menus ......................................................................... 187
9.4.6
Use of the Keyboard in the Project Table ........................................................ 192
9.4.7
Configuring the Project Table .......................................................................... 194
9.4.8
Navigating the Project Table ........................................................................... 195
9.4.9
Finding and Replacing Text in the Project Table ............................................. 196
9.5
Selecting Project Entries
..................................................................................... 197
9.5.1
The Select Menu ............................................................................................. 197
9.5.2
Selecting Entries By Property ......................................................................... 198
9.5.3
Selecting Entries By Matching a SMARTS Pattern......................................... 200
9.5.4
Selecting Entries Using the Plot Panel ........................................................... 201
9.5.5
Selecting Entries Using the 2D Viewer Panel ................................................. 201
9.5.6
Selecting Entries Randomly............................................................................ 201
9.5.7
Selecting Entries in Groups ............................................................................ 202
9.5.8
Selection Examples ........................................................................................ 202
9.6
Operating on Entries
............................................................................................. 203
9.6.1
Including, Excluding, and Fixing Entries ......................................................... 203
9.6.2
Renaming Entries ........................................................................................... 204
9.6.3
Locking Entries ............................................................................................... 205
9.6.4
Duplicating Entries .......................................................................................... 205
9.6.5
Merging Multiple Entries ................................................................................. 206
9.6.6
Copying and Pasting Entry Properties ............................................................ 206
9.6.7
Splitting Entries ............................................................................................... 207
9.6.8
Grouping Entries ............................................................................................. 207
9.6.9
Showing And Hiding Entries in Groups........................................................... 209
9.6.10
Deleting Entries............................................................................................. 209
9.6.11
Moving Entries .............................................................................................. 210
9.6.12
Sorting Entries and Entry Groups ................................................................. 211