Maestro User Manual

Contents

Schrödinger Software Release 2015-2

iv

2.8  

Mouse Functions

..................................................................................................... 31

2.9  

Shortcut Keys

.......................................................................................................... 32

2.10  

Finding Objects in the Workspace

..................................................................... 36

2.11  

Undoing Workspace Operations

........................................................................ 37

2.12  

Running Maestro Commands

............................................................................. 38

2.13  

Ending a Maestro Session

................................................................................... 38

Chapter 3: 

Importing and Exporting Structures and Data

....................... 41

3.1  

Importing Structures

.............................................................................................. 41

3.1.1  

Selecting Files................................................................................................... 43

3.1.2  

Selecting Import Settings .................................................................................. 46

3.1.3  

Interacting with the Import Process .................................................................. 48

3.1.4  

Importing Structures from Another Project ....................................................... 48

3.1.5  

Importing Structures by Dragging onto the Workspace .................................... 48

3.1.6  

Importing Structures from the PDB Database .................................................. 48

3.1.7  

Error Reporting for PDB Files ........................................................................... 49

3.1.8  

Entry Names for Imported Structures ............................................................... 51

3.1.9  

Reading Jaguar Input Files ............................................................................... 51

3.2  

Exporting Structures

.............................................................................................. 52

3.2.1  

Selecting a File ................................................................................................. 53

3.2.2  

Selecting Export Settings.................................................................................. 54

3.2.3  

Exporting Multiple Files..................................................................................... 55

3.3  

Exporting Data to a Spreadsheet

......................................................................... 57

3.4  

Importing Data From a Spreadsheet

.................................................................... 58

3.5  

Exporting Structures and Data to a Canvas Project

......................................... 60

3.6  

Exporting Data from a Table

.................................................................................. 61

3.7  

Copying and Pasting Structures

.......................................................................... 61

Chapter 4: 

Viewing the Workspace

.......................................................................... 63

4.1  

The View Toolbar

..................................................................................................... 63

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Contents

Maestro 10.2 User Manual

v

4.2  

Changing the View

.................................................................................................. 64

4.2.1  

Translating the View .......................................................................................... 65

4.2.2  

Rotating the View .............................................................................................. 65

4.2.3  

Zooming In and Out .......................................................................................... 66

4.2.4  

Restoring the Default View................................................................................ 67

4.2.5  

Setting the View Origin and Rotation Center .................................................... 67

4.3  

Saving, Restoring, and Managing Views

............................................................ 67

4.4  

Tiling the Workspace

.............................................................................................. 70

4.5  

Using the Full Screen

............................................................................................. 72

4.6  

Clipping

..................................................................................................................... 72

4.7  

3D Viewing

................................................................................................................ 74

4.7.1  

Stereo Viewing .................................................................................................. 74

4.7.2  

Using Perspective ............................................................................................. 76

4.7.3  

Using Fogging ................................................................................................... 77

4.7.4  

Depth Cues ....................................................................................................... 78

Chapter 5: 

Building and Adjusting Structures

................................................... 79

5.1  

The Build and Fragments Toolbars

...................................................................... 79

5.2  

The Build Panel

........................................................................................................ 81

5.3  

Building a Structure From Fragments

................................................................. 82

5.3.1  

Building Structures Using Place Mode.............................................................. 84

5.3.2  

Building Structures Using Grow Mode .............................................................. 86

5.4  

Building a Structure From Atoms

........................................................................ 87

5.5  

Building a Structure in 2D

..................................................................................... 89

5.5.1  

The 2D Sketcher Menu Bar............................................................................... 90

5.5.2  

The 2D Sketcher Toolbar .................................................................................. 90

5.5.3  

Sketching Molecules ......................................................................................... 92

5.5.4  

Saving Templates for Building ........................................................................... 94

5.5.5  

Saving Structures.............................................................................................. 94

5.6  

Changing Elements

................................................................................................. 95

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