Name: Using RunToCompletion and Group Data

Author: Chris Farmer

Version: 2.0

Created: 12/2002

Modified: 8/2007 – Components upgraded, and help text revised/added.

Purpose: Demonstrate how to partition data, and work with each subset separately using RunToCompletion Subprotocols and Group Data.

First, the Sample Drugs file is read, prostaglandins filtered out and clustered, then grouped by cluster. Each cluster group is passed to a RunToCompletion subprotocol where the maximal common substructure (MCSS) is calculated. Because the subprotocol is RunToCompletion, a cluster group completes processing in the subprotocol before the next cluster group even begins. Thus, the MCSS is calculated for each cluster group rather than all the molecules in the set.

In addition, one SD file is written to the user directory for each cluster.

Requirements: Pipeline Pilot 6.1.1

O/S: PP Server Windows and Linux
PP Client Windows

Limitations: None

Keyword(s): RunToCompletion, Subprotocol, Group Data, Ungroup Data, Maximum Common Substructure, MCSS

Contents: Using RunToCompletion and Group Data.xml

Installation: Drag the protocol into the Pipeline Pilot client workspace, or drag and drop it on one of the Pipeline Pilot client explorer tabs to import it directly in the protocol database.