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
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