Name: Cheshire SOAP Web Services

Author: Rahim Lila

Version: 2.0

Created: 05/2003

Modified: 8/2007 - updated components; did not test.

Purpose: These files demonstrate how one can SOAP wrap MDL Chemistry Rules Interface (Cheshire) and integrate it as a component in Pipeline Pilot.

Description: This Cheshire SOAP service will accept MOL files as a string[]. It will then pass that string[] into Cheshire JNI API for processing. After Cheshire is finished processing the structure, results are put into a string[]. This string[] is what will be passed back to PP. This SOAP service will requires a specialized PP component that will be able to call the web service and pass to it an MOL file[]. In return, the component will receive the output (as a string[]) from the SOAP service.

Requirements: PP Chemistry Collection, PP Integration Collection, Elsevier MDL Cheshire

O/S: Windows on PP server

Limitations: These components have not been tested with PP 6.1.1.

Keyword: cheshire

Contents:
MDL Chemistry Rules Interface from Expression (SOAP).xml,
MDL Chemistry Rules Interface From File (SOAP).xml,
Cheshire.war,
Fixmol_Optimized.cct

Installation:

1. Install Cheshire 2.0 or 3.0 Server/Client and JNI package.

2. Install Apache TOMCAT Web server With Apache AXIS SOAP engine. See Pipeline Pilot Online Help, under Administration Guide-->SOAP Servers-->JAVA, for detailed instructions.

3. Verify AXIS and TOMCAT are properly configured by navigating to http://localhost:8080/axis/happyaxis.jsp . Make sure ALL "Needed Components" are present and working before going any further. Add all Axis jar files to TOMCAT_HOME\common\lib.

4. Place CheshireJNI.jar File, included in the Cheshire JNI install, into TOMCAT_HOME\common\lib.

5. Place Cheshire.war into TOMCAT_HOME\webapps\

6. Start tomcat and then open internet explorer to http://localhost:8080/Cheshire/servlet/AxisServlet

7. Cheshire should be listed on this page as a webservice.

8. Drag "MDL Chemistry Rules Interface from Expression(SOAP).xml" or "MDL Chemistry Rules Interface from File(SOAP).xml" into your Pipeline Pilot client.

9. Then make sure that the SOAP endpoint for each SOAP component, in the protocol, is pointing to your SOAP server.

See below:
change from : http://localhost:8080/Cheshire/services/Cheshire
change to: http://mySOAPServerName:8080/Cheshire/services/Cheshire

10. Everything should be in place.....just Run the protocol.