Project Preferences

These options affect the behavior of Maestro when projects are opened or closed.

Opening projects

Select options for Maestro actions related to opening projects.

Show Project Table

Open the Project Table panel when you open a project.

Closing projects

Select options for Maestro actions when closing a project.

Warn before closing a scratch project

When closing a scratch project, show the Save Scratch Project dialog box, which gives you the choice of saving the project with a name, discarding it, or canceling the operation that closes the project. This dialog box is shown if you explicitly close the project (Project → Close), or open another project or quit Maestro with a scratch project open.

Turn off Workspace Style Reapply when closing project

When closing a project, turn off the setting to reapply the Workspace Style when the Workspace changes (the Reapply when Workspace changes item on the Presets button menu).

These settings can be used to make a daily automatic backup of the project that is open in your Maestro session, to control the number of backups (either automatic or manual), and to receive notification of the status of a backup. For more information on project backups, see Backing Up and Restoring Projects.

Automatic daily backup option

Select this option to request an automatic daily backup of the current project. The following options can be set for the backup:

Schedule for N text box

Schedule the backup for the specified hour (on a 24-hour clock).

Post-backup check option menu

Choose an option for checking on the success of the backup. The options are:

• None—Do not do any checking.
• Project exists—Check that the backup project exists.
• Required files exist—Check for the existence of files inside the project that are required for a valid project.
• Count entries and properties—Check that the number of entries, number of included entries, number of properties, and other counts match.
• Entry structure files exist—Check that the structure files for each entry exist and are valid. This option unzips the project temporarily, so it requires as much disk space as the full project.

Send EMail notifications option

Select this option if you want email notification with details of the backup. If you select this option, you must fill in the information or make choices for the following settings:

SMTP server text box

Full name of the SMTP mail server used to send email notification.

Port text box

Port to use for the SMTP mail server.

Security option menu

Type of security to use for email. Choose from None, STARTTLS, or SSL/TLS.

From text box

Full email address of the user account from which email notification is sent.

Password text box

If sending email requires a password, specify it in this text box.
Note: The password is not encrypted. If this is a concern, you should choose an account that does not require a password to log on to the mail server, and choose None from Security option menu.

To text box

Full email address of the user account to which email notification is sent.

Limit the number of backups option

Select this option to limit the number of backups.

Save at most N backups text box

Specify the maximum number of backups to save. This option is only available if you choose to limit the number of backups. When the number of backups exceeds this limit, the oldest backup is removed. This means that you must have space for one more backup than the number set, as the new backup is written before the oldest backup is removed.

Display dialog menu

Select an option for when to display a notification dialog box when a backup finishes. The choices are Never, Only when an error occurs, and Always.

Alternate backup location text box and Browse button

Specify an alternate location for backups, by clicking Browse and navigating to the desired location. The location is shown in the text box when you click Choose in the directory selector that opens. When you first set an alternate backup location, the Alternate backup location option under Store new backups in is automatically selected, so that the new backup location is used.

Store new backups in options

Specify where to store new backups. You can choose from Same directory as project (the default), or Alternate backup location, to use the location you specified.

These settings control how changes in the Workspace are saved to the project.

• Automatically—Maestro automatically saves any changes to entries in the Workspace to the project.

• When approved—Maestro determines when changes will be lost if they are not saved, and prompts you to save the changes. You must make a choice before proceeding.

• Only when specifically requested—Maestro never determines that changes must be saved. You must explicitly save changes or they will be lost. To save changes, click the disk icon in the status bar of the main window, or choose File → Save Workspace Changes .

These settings control how structures are imported. Some of them are duplicated in the Import Dialog Box.

Import associated data files option

If the structure file has other data associated with it, such as volume data for surfaces, the data can be imported into the project and associated with the relevant entries, by selecting this option. The mapping of the data to the entries is done in a file with the suffix .smap. This option is selected by default.

For Desmond files, import only first structure option

When importing from a .cms file, import only the first structure. There is no need in this case to use the Start and Total text boxes.

For PDB files, color by conversion status

When importing a PDB file, color the structure by the status of the conversion. See Coloring Atoms for information.

For CIF files, populate crystal unit cell option

When a CIF file (.cif) is imported, build and display the full crystal unit cell in the Workspace, rather than the asymmetric unit. This is a display option: it does not add atoms to the project entry, which stores the atoms from the structure file. See related information in Workspace Tools for Periodic Structures.

For SD files, create titles from options

Specify the property to be used as the title in Maestro:

• SD molecule name—This is the default, and corresponds to the first row in the CT block.
• SD property—Select this option to use a specified property for the title, and enter the property name in the text box.

Replace Workspace option

Select this option to clear the Workspace before opening the new file, and display in the Workspace the structures specified with the Include in Workspace option menu. If this option is not selected, the new structures are added to the current project and the Workspace remains as it is.

Include in Workspace option menu

This option menu allows you to include in the Workspace the first imported structure, all imported structures, or none of the imported structures. By default only the first imported structure is displayed.

Create groups for option menu

When you import structures, they can be added to the Project Table as entry groups. This option menu allows you to create a group for each file with multiple structures (the default) or for all files, to create a single group for all files, or to import structures without placing them in an entry group (None option). This choice applies whether you are importing from a single file or from multiple files. If you choose to create a single group for all imported files, you can provide a name in the Group name text box.

If the imported structure file has a Workflow Action Menu setting (which it can only have if it's a Maestro file), an entry group is always created, regardless of the choice made here.

Map SD properties to existing non-SD project properties option

Select this option if you want to map properties in an imported SD file to existing properties in the project other than SD properties. You can also choose whether to modify the mapping each time you import an SD file (Always) or not to use a mapping (Never). If you choose to modify the mapping, the Map Properties Dialog Box opens on import. Choosing Never is the same as deselecting the main option.