Name: Accord Chemistry Cartridge Components
Author: Accelrys
Version: 3.0
Created: 01/2006
Modified: 08/2007
Purpose: These components provide a way to connect to a chemistry database through the Accord Chemistry Cartridge.
Description: Example Protocols are based on the Maybridge example data set. Please read the Accord Chemistry Cartridge User Guide for instructions on how to create this table. All protocols and examples assume chemistry stored in Accord BLOB format and will need to be modified to connect to data stored as SMILES, Molfiles etc. In order to insert chemistry using the Accord Chemistry Cartridge Insert component the Enable SQLDescribeParam must be selected. This can be found on the Advanced tab of the Scitegic DNS configuration dialog.
Requirements: PP Server 6.1.1, Chemistry Collection, Integration Collection, Accord Chemistry Cartridge installation
O/S: Windows and Linux
Limitations: N/A
Keyword: accord chemistry cartridge substructure search similarity duplicate
Contents: Accord Chemistry Cartridge Duplicate Check.xml
Accord Chemistry Cartridge Insert.xml
Accord Chemistry Cartridge Join.xml
Accord Chemistry Cartridge Select.xml
Accord Chemistry Cartridge Similarity Search.xml
Accord Chemistry Cartridge Substructure Search.xml
Accord Insert Example.xml
Accord Join Example.xml
Accord Select Example.xml
Accord Similarity Search Example.xml
Accord Substructure Search Example.xml
Installation:
1. To install, you will need access to the Pipeline Pilot server.
2. Unzip the archive and place the accelrys folder into the root\apps folder of your Pipeline Pilot Server installation.
3. In a command window, cd to
pkgutil –i accelrys/AccordChemistryCartridge
4. This will install the components and example protocols which will be immediately available through the Pipeline Pilot client, on the Components tab.
