Maestro User Manual

Chapter 18: Help

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415

If your job failed:

1. Open the 

Monitor

 panel, using the instructions for your profile as given below:

• Maestro/Jaguar/Elements: 

Tasks

 

→ 

Monitor Jobs

• BioLuminate/MaterialsScience: 

Tasks

 

→ 

Job Monitor

2. Select the failed job in the table, and click 

Postmortem

.

The 

Postmortem

 panel opens.

3. If your data is not sensitive and you can send it, select 

Include structures

 and deselect

Automatically obfuscate path names

. 

4. Click 

Create

.

An archive file is created, and an information dialog box with the name and location of

the file opens. You can highlight and copy the name of the file.

5. Upload the file specified in the dialog box to the support web form. 

If you have already submitted a support request, use the upload link in the email response

from Schrödinger to upload the file. If you need to submit a new request, you can upload

the file when you fill in the form.

6. Copy and paste any log messages from the window used to start the interface or the job

into the web form (or an e-mail message), or attach them as a file. 

• Windows: Right-click in the window and choose 

Select All

, then press 

ENTER

 to

copy the text. 

• Mac: Start the 

Console

 application (

Applications

 

→ 

Utilities

), filter on the applica-

tion that you used to start the job (Maestro, BioLuminate, Elements), copy the text.

If Maestro failed: 

1. Open the 

Diagnostics

 panel.

• Windows: 

Start

 

→ 

All Programs

 

→ 

Schrodinger-2015-2

 

→ 

Diagnostics

 

• Mac: 

Applications

 

→ 

SchrodingerSuite2015-2

 

→ 

Diagnostics

 

• Linux/command line: $SCHRODINGER/diagnostics

2. When the diagnostics have run, click 

Technical Support

.

A dialog box opens, with instructions. You can highlight and copy the name of the file.

3. Upload the file specified in the dialog box to the support web form.

If you have already submitted a support request, use the upload link in the email response

from Schrödinger to upload the file. If you need to submit a new request, you can upload

the file when you fill in the form.

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4. Upload the error files to the support web form. 

The files should be in the following location:

• Windows: %LOCALAPPDATA%\Schrodinger\appcrash 

(Choose 

Start

 

→ 

Run

 and paste this location into the 

Open

 text box.)

Attach maestro_error_pid.txt and maestro.exe_pid_timestamp.dmp.

• Mac: $HOME/Library/Logs/CrashReporter 

(

Go

 

→ 

Home

 

→ 

Library

 

→ 

Logs

 

→ 

CrashReporter

)

Attach maestro_error_pid.txt and maestro_timestamp_machinename.crash.

• Linux: $HOME/.schrodinger/appcrash 

Attach maestro_error_pid.txt and crash_report_timestamp_pid.txt. 

If a Maestro panel failed to open:

1. Copy the text in the dialog box that opens. 

2. Paste the text into the support web form. 

 

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Appendix A

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417

Maestro User Manual

Appendix A:

The Maestro File Format

All Schrödinger products use the Maestro file format as their primary method of storing molec-

ular structure information. The Maestro file format is extensible. That is, users and third-party

programs can add additional fields that will be accepted and retained when the files are read by

Schrödinger products. Maestro files are also self-describing; data items are named rather than

simply identified by position, and the data type (string, real number, integer and Boolean) is

included as a single-digit code letter at the beginning of each data name.

Since Maestro files can accept additional user-defined fields, it is not possible to give an all-

inclusive example of a Maestro file. Instead, this appendix gives a general overview of the

Maestro file format and describe the components used for most Schrödinger applications.

A.1

Basic File Description

Maestro format files are free-format ASCII text. All white space (spaces, tab characters, end of

lines etc.) is ignored. Schrödinger applications will write files in a consistent layout in order to

enhance human readability but the files are not, in fact, required to follow this layout. Except

for the requirement that string type data items which contain blanks be surrounded by double

quotes, there are no restrictions, such as width or precision of the numeric fields, on the data

items.

A.2

Data Blocks

The basic unit of a Maestro file is a block, a series of data items contained within a pair of

curly braces { }. For instance, the following is the first block of the example file in shown in

this appendix:

{

    s_m_m2io_version

    :::

    1.0.0

}

Most blocks in the Maestro file are proceeded by a name, for example, f_m_ct, where ‘f’

stands for ‘full’ (see below), ‘m’ generally stands for ‘Maestro’ because the data originated

from Maestro, and ‘ct’ stands for ‘CT’—short for ‘Connection Table’, which can generally be

thought of as a collection of atoms.

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