Maestro User Manual

Chapter 1: Maestro Overview

Schrödinger Software Release 2015-2 

10

Once a job is launched, the 

Monitor

 panel can be used to display job progress, which can also

be summarized on the status bar. You can open the 

Monitor

 panel from the 

Tasks

 menu or the

Applications

 menu, or have it open automatically on starting a job by setting a preference in the

Preferences

 panel. You may cease or resume monitoring at any time, and you can monitor any

currently running job. If a job finishes while it is being monitored, its output is incorporated

into the current project, according to the settings used to launch the job. If a job that is not

currently being monitored finishes successfully, you must select it in the 

Monitor

 panel and

click 

Monitor

 to incorporate the results. Multiple structures are incorporated as entry groups. 

Two other tools offer quick access to information on running jobs: the status button on the Job

toolbar in the application panel, which you click to show a small job status window, and the

Jobs

 button on the status bar in the main window. 

For the programs that do not incorporate results, the output files are placed in the launch direc-

tory. 

For information on Job Control and incorporation, see the 

Job Control Guide

.

1.6

Citing Maestro in Publications

The use of this product should be acknowledged in publications as:

Maestro, version 10.2, Schrödinger, LLC, New York, NY, 2015. 

 

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Chapter 2

Maestro 10.2 User Manual

11

Maestro User Manual

Chapter 2:

The Maestro Main Window

This chapter describes how to start and end a Maestro session, and gives a detailed description

of the main window and its functions. 

2.1

Starting Maestro 

The mechanism for starting Maestro is different for Linux, Windows, and Mac hosts. This

mechanism is described for each of these host types in the following subsections. 

When Maestro starts, it reads resource files that define your preferences from your 

user

profiles directory

. For information on the location of this directory and on setting preferences,

see 

Chapter 13

. Any resource files that it does not find in this location it reads from the

resource subdirectory in the Schrödinger software installation, maestro-vversion/data/

res

, where version is the 5-digit Maestro version number. The resource files and preferences

are saved in your user profiles directory when you quit Maestro.

If you are starting a new release of Maestro for the first time, the preferences and resource files

are copied from the location for the previous release. Your preferences are therefore preserved

for the new version of Maestro. However, layout settings are not copied, because changes to

the panels might make some controls hidden with the saved layout. If you see warnings on

startup, it is likely that a customization is no longer valid, due to definitions changing between

releases. For more information on defining resources, see 

Section 13.5 on page 324

. 

Maestro has the concept of a 

startup directory

, which on Linux is the directory from which

Maestro was started. On Windows and Mac, the startup directory is set to the Schrodinger

folder in your documents folder. The startup directory is used for Maestro’s 

current working

directory

, subject to a preference (see 

Section 14.1.2 on page 336

). To change the current

working directory, you can choose 

Project 

→

 Change Directory

 and navigate to the new direc-

tory in the 

Change Directory

 dialog box.

If Maestro fails to start, the 

Diagnostics

 panel opens, with instructions about what to do about

the failure. More information on this panel is given in 

Section 7.10.1

 of the Installation Guide.

2.1.1

Starting Maestro on a Windows Host

To start Maestro, double-click the Maestro icon on the desktop, or use the 

Start

 menu. Maestro

is in the 

Schrödinger

 submenu. This submenu can also be used to open the release notes and

the documentation index in your browser. 

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Chapter 2: The Maestro Main Window

Schrödinger Software Release 2015-2 

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To start Maestro with a specific project, double-click the zipped project. Zipped projects have a

.prjzip

 extension, and are read-only. To replace the zipped project, you must first save it,

then zip it, then copy it over the old project. Zipped projects can also be linked to a web page:

clicking on the link to the project in your browser opens the project in Maestro.

You can import a Maestro, PDB, SD or MOL2 file into a Maestro session by double-clicking

on the file icon. For Maestro files, if there is an existing Maestro session open, the file is

imported into this session (or the most recently used session if there is more than one). 

2.1.2

Starting Maestro on a Mac Host

To start Maestro, click the Maestro icon on the dock. If there is no Maestro icon on the dock,

you can put one there from 

Finder

 by choosing 

Go

 

→ 

Applications

 and opening the

SchrodingerSuite2015-2

 folder. Icons for all the Maestro profiles (and other graphical applica-

tions) are available there, and you can drag them to the dock. 

You can also start Maestro from the command line, by opening a terminal window and using

the instructions given below for Linux and the bash shell.

2.1.3

Starting Maestro on a Linux Host

Before starting Maestro, you must set the SCHRODINGER environment variable to point to the

installation directory, by entering the following command in a terminal window:

You might also need to set the DISPLAY environment variable, if it is not set automatically

when you log in. To determine if you need to set this variable, enter the command:

echo $DISPLAY 

If the response is a blank line, set the variable by entering the following command: 

For local display, you should omit display-machine-name.

After you set the environment variables, you can start Maestro using the command:

$SCHRODINGER/maestro [

options] [filename] 

csh/tcsh:

 setenv SCHRODINGER installation-directory 

bash/ksh:

 export SCHRODINGER=installation-directory 

csh/tcsh:

 setenv DISPLAY display-machine-name:0.0

bash/ksh:

 export DISPLAY=display-machine-name:0.0 

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