Maestro User Manual

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

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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

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