Name: Additional Calculable Fingerprints

Author: David Foss

Version: 1.1

Created: 5/2007

Modified: 9/2007 – help text revised/added.

Purpose: Provides additional fingerprints as calculable properties in a protocol

Due to the expansion of possible Molecular Fingerprints parameter values for Type (AtomEnvironment, HashedAtomEnvironment) and a new AtomAbstraction (Sybyl), there has been a significant increase in the number of fingerprint properties that can be calculated.
All of the new fingerprints are available to all users via the Molecular Fingerprints component but we've decided to limit the inclusion of the new fingerprints as "calculable properties" to prevent the calculable property list from getting too large.
Customers interested in accessing the new descriptors as "calculable properties" can use the attached component to add all of the new descriptors to the calculable property list.

Note: This is an internal component that should not be used directly in protocols. Its presence in the user's xmldb triggers inclusion of its Output parameters as calculable properties.

Requirements: Pipeline Pilot 6.1.1

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

Limitations: This is an internal component that should not be used directly in protocols.

Keyword(s): Fingerprints, calcuable properties

Contents: Additional Calculable Fingerprints.xml

Installation:

1. Drag the component into the Pipeline Pilot client workspace and save it to your user tab or drag the component and drop it on your Pipeline Pilot client explorer user tab to import it directly in the protocol database.

2. Properties defined in the component are accessible as "calculable properties"

Note: If saved to the Protocols or Components tab, rather than a single Users tab, the additional calculable properties will be available to all users, but this could unecessarily clutter the calculable properties list for users that do not needs them, thus the recommendation to out it on your user tab.