WSDL URL

Hi Technical Support,

I'm trying to use the wsdl2py to create the client/server stubs for ChemicalTermsWS.  When I use the command:

C:\Python26\Scripts\wsdl2py --complexType http://10.0.0.184:8180/axis2/services/ChemicalTermsWS.ChemicalTermsWSHttpSoap11Endpoint

I get the error:

Error loading http://10.0.0.184:8180/axis2/services/ChemicalTermsWS.ChemicalTermsWSHttpSoap11Endpoint

socket connect <> timeout.

Am I using the wrong URL?  Any help would be much appreciated.

Thank you,

Ben

Ben,

The parameter value of the --complexType flag should be the url of the wsdl (or the filename itself). 

The Axis2 server provides the urls at http://<server_host>/axis2/services/<web_service_name>?wsdl

From your example, the url should be entered below.

http://10.0.0.184:8180/axis2/services/ChemicalTermsWS?wsdl

 

To check, enter the above url in your browser (make sure the server is running) and a wsdl document should be returned. 

 

Let us know if this works or if there are further problems.

Jonathan Lee

Hi John,

Thank you for clarifying the WSDL url.  Unfortunately I'm still getting the socket connect timeout error.  I checked

http://10.0.0.184:8180/axis2/services/ChemicalTermsWS?wsdl

in my browser and got a connection timed out error.  Pining the remote host does not receive a response.  Maybe the server is not running? 

Thanks

Ben

Ben,

 

Sorry, I misunderstood the context of your question, so let me ask a question. 

Have you downloaded and installed your own JChem Web Services server?

You can do that here -->    http://www.chemaxon.com/webservices/download.html

 

Once you have your own server running you can change the <server_host> with your own server name and port, perhaps "localhost:8180".

If you need help with the setup of the server -->  http://www.chemaxon.com/webservices/adminGuide.html

 

Otherwise, how would you like to use web services?

 

Jonathan Lee

Hi John,

I'm actually just trying to write a simple python script to take simles codes from an excel file and use MarvinSketch to estimate a octanol-water partition coefficient then paste that value back into excel.  I'm a complete novice at programming/python but the example on the web page below looked promising for what I'm trying to do. 

http://www.chemaxon.com/webservices/python/index.html

I think I misunderstood what the web services are.  Is there just a chemicalterms module I could download?

Ben

Ben,

I think you are working on a Windows machine, so there is a very easy to use installer on the download page from the previous post.  (If not, you can just download and unzip the .zip file)

Just double click on the .msi installer file after it is downloaded.  The server can be started from the start menu (Start >> All Programs >> JChem Web Services >> startup.bat)

then type

C:\Python26\Scripts\wsdl2py --complexType http://localhost:8180/axis2/services/ChemicalTermsWS?wsdl

The resulting files must be put in the python path or in your current working directory.

The following example script files should also be in your python path or your current working directory.

C:\Program Files\ChemAxon\JChem Web services\examples\python\ChemTermsScript.py

C:\Program Files\ChemAxon\JChem Web services\examples\python\toolbox.py

(In the beginning, you could use the C:\Program Files\ChemAxon\JChem Web services\examples\python directory to run your scripts.)

 

Then for help on the script you can run

ChemTermsScript.py -h 

 

And to run a logP calculation on a smiles string

ChemTermsScript.py -t <my_smiles_string> -e logP

 

Let us know how it goes,

Jon

 

Hi,

I thought I would post my python code since I like it when other people do.  Its nothing special.

from win32com.client import Dispatch
from subprocess import Popen, PIPE
Popen(['C:\Octanol-WaterPartition\PartitionTable.xlsx'], shell=True)
xlApp = Dispatch("Excel.Application")
i=2
while i<589:
    smiles = xlApp.ActiveSheet.Cells(i,7).value
    output = Popen(['ChemTermsScript.py -t' + smiles + ' -e logP'], stdout=PIPE, shell=True).stdout
    ParCoef=output.read()
    xlApp.ActiveSheet.Cells(i,8).value=ParCoef
    i=i+1

 

Ben

Ben,

Thanks for sharing. 

Jon

I believe the following helps to run the example better:

 

1. Confirm that the ChemTermScript python is setup and running.

http://www.chemaxon.com/webservices/python/index.html#setup

 

2. Download Python for Windows extensions, if you don't already have it.

http://sourceforge.net/projects/pywin32/

 

3. Edit the script appropriately, inserting your file name and the specific rows and columns.  Also ParCoef.strip() may help to remove any nasty whitespaces.

 

4. Make sure your Excel file with a smiles column is open and the sheet is active inside of Excel.

 

Jonathan Lee