TheProjectmenu of the main window enables you to perform operations on the project level. To perform operations on entries in the current project, use the menus in theProject Table
panel. This section describes the operations that you can perform on projects.
8.1.1
Creating and Opening Projects
When you start Maestro without specifying a project to open, a scratch project is created. You can work with a scratch project, and perform nearly all the tasks that you can perform with a named project. If you want to start a new project and save its data, you can create a new named project by choosingNewfrom theProjectmenu. The main difference between a new project and a scratch project is that the new project has a name and is automatically saved. When you chooseNew, a project selector panel is displayed. This panel enables you to choose the loca- tion of the new project, create a directory, and type in the project name.
UNIX: $HOME/.schrodinger/tmp
To open an existing project, chooseOpenfrom theProjectmenu, or click theOpen a project
toolbar button.
A project selector panel is displayed that enables you to select a project to open. The project selector panels are described in more detail inSection 8.1.4 on page 101. You can only have one project open at any time.
If you are opening a project from a previous release, the project must be converted to the current release format. When you choose the project to open, theProject Conversiondialog box opens. This dialog box offers you the choice of overwriting the project, converting to a new project, or canceling the opening of the project.
In addition to opening projects (with extension .prj), you can also open zipped projects (with extension .prj.zip or .prjzip). These projects are uncompressed as temporary projects, and must be saved as named projects in order to be kept. To create a zipped project, simply zip the desired project directory, which has a .prj extension.
8.1.2
Saving and Closing Projects
The data in a project is normally saved automatically when you make changes to the project. Changes to entries that are made in the Project Table are saved automatically. The saving of changes to entries that are displayed in the Workspace depends on the preferences you set in thePreferences panel. By default these changes are saved automatically.
Because the data in a named project is automatically saved you do not need to explicitly save the project. When you have finished working in a project you need only close the project, by choosingClosefrom theProjectmenu. If you want to work on a different project, you do not need to close the old project before opening the new project. When you close a project without opening a new project, a scratch project is created.
If you are working in a scratch project and decide you want to save it as a named project, or if you want to save a named project with a different name, chooseSave Asfrom theProjectmenu or click theSave Astoolbar button.
A project selector panel is displayed that enables you to enter the name and choose the location of the project, and if necessary, create a directory. The panel is described inSection 8.1.4 on
Figure 8.1. The Save Project As project selector.
When a project is saved, all view transformations (translation, rotation, and zoom) are saved with it and restored when the project is opened. In addition, all user-defined sets of atoms are saved with the project and included when the project is copied or merged with another project.
8.1.3
Deleting Projects
If you do not want to keep the current project you can remove it by choosingDeletefrom the
Projectmenu. You will be prompted to confirm the deletion of the project. When you delete a project, any jobs associated with that project are killed and purged from the job database. You can also delete the project from a UNIX shell by entering the command
rm -rf project_name
When you delete a project usingrm, job files that were created using the project are not deleted unless they are located within the project directory.
8.1.4
The Project Selector Panels
Many of the project operations—creating, opening, saving—involve selection of a project location on disk. Each of these operations has a project selector panel. The project selector panels operate like file selectors, but project selector filters are configured so that Maestro project directories (those with.prjextensions) or zipped projects (those with.prjzipexten-
sions) are the only visible items. Most of the features of these panels are common to all opera- tions. The panel features are described below.
Project Availability Indicators: Only one instance of a given project can be open at a time. To
indicate whether a project is in use, an asterisk (*) is placed in front of each available project and an exclamation point (!) in front of each locked project. A project is locked if you or someone else already has the project open.
Directory selection buttons: In addition to the usual directory and file lists, there are two
buttons for selecting directories:Launch DirectoryandWorking Directory.The first selects the directory from which Maestro was launched, and the second selects Maestro’s current working directory.
Options: When you merge projects you can choose to include any user-created files by
selectingInclude User Created Files.
Project Text Box: The Project text box is automatically populated with the name of the current
directory. When you navigate to locate a directory, the text box is updated to reflect the current selection. If you are creating a new project, saving a scratch project or copying a project, enter the project name at the end of the text. You do not need to add the.prjextension, which Maestro supplies if it is absent.
Making New Directories: Some of the project selectors have been equipped with the ability to
make new directories. TheMake Dirbutton in these project selectors opens theMake Directory
directory selector. To create a directory, navigate to the desired location and type the new direc- tory name at the end of the path information in theProjecttext box. You can only create one new directory level at a time. To create multiple directory levels you must use this procedure for each level you want to create.
8.1.5
The Project Summary Panel
Projects can be large, diverse collections of data. To help you keep track of the project, Maestro provides aProject Summarypanel. This panel displays information about the current project, including annotation of the project, information on jobs run from the project, and information on runs saved from wizard-based panels. To open this panel, chooseSummary
from theProjectmenu. The panel has three sections, anAnnotationsection, aProjectsection, and aJobs section.
Annotation section: This section displays the project annotation. Because projects are
frequently modified, it may be helpful to annotate your project. The project creation date and job history are automatically added to the project annotation.
You can edit the text in the annotation section, including the automatically generated text. The standard mouse actions (highlight to copy, middle-click to paste) can be used to copy and paste text. The main key strokes for editing text are:
• CTRL+W to cut the selection • ALT+W to copy the selection • CTRL+Y to paste the selection
These and other conventions are the same as those used by Emacs. For more information, visit the web sitehttp://www.tcl.tk/man/tcl8.4/TkCmd/text.htm#M1521.
Project section: This section displays statistics on the project, in two subsections,Entriesand
Runs. Clicking in theEntriessubsection opens theProject Tablepanel. Clicking in the area for a product in theRuns subsection opens the wizard-based panel for that product.
Jobs section: This section displays the jobs in the job database for the current project. Clicking Refreshupdates the display for all jobs, and is equivalent to clickingMonitorin theMonitor
panel. ClickingDeletedeletes the selected jobs from the database. You can select jobs with the usual click, shift-click and control-click key strokes.