Prime User Manual - ISP

Prime User Manual
Chapter 2: Using Prime–Structure Prediction
This chapter presents the essentials of using Prime–Structure Prediction (Prime–SP):
• Starting, naming, and saving Prime–SP runs in Maestro projects
• Navigating within and between runs
• Job control, job monitoring, and Prime–SP job options
• Using Prime–SP step panels, including their common layout and features
• Using the Prime menu bar and Prime toolbar
2.1 Prime Runs and Maestro Projects
Chapter 2
A single execution of the Prime workflow using a particular set of choices of templates, paths,
and settings is called a run.
Prime runs are stored within Maestro projects. Structures generated in completed Prime runs
are added to the Maestro Project Table. If you are unfamiliar with Maestro projects and the
Maestro Project Table, you may want to review the Project Table and Project Facility online
help topics. For more information, see the Maestro User Manual.
Maestro always has a project open. If you begin to work without selecting or naming a project,
Maestro creates a scratch (unnamed) project.
Prime always has a run open, which belongs to the current project (whether it is a named
project or a scratch project). If you begin the Prime workflow without specifying an existing
run, the default name for the current run is run1. Multiple runs can be performed within a
project, but you must save the project in order to save the data in the runs.
Each project can be displayed in the Project Table panel. In Prime, Project Table entries are
usually finished model structures with their properties. Prime stores data in the project as each
step in a run is performed, but most of this data is not displayed in the Project Table, which can
remain empty until a run is completed. For this reason you should save scratch projects in
which you have done work, even if the Project Table is empty.
Two Maestro projects can be merged into one. If you merge two Maestro projects, each of
which contains one or more Prime runs, all the runs are included in the merged project. If two
runs have the same name, Maestro automatically makes the names unique by appending -mrg1
to one of them.
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