Need help:"Calculation name is not found"

Dear all!

I am quite a newbie in Java & ChemAxon.  What I've tried to do is to integrate BemisMurckoPlugin into cxcalc, following the instructions found here: https://www.chemaxon.com/marvin/examples/plugin-integration/index.html

However, after the last step, when running: 

cxcalc bemismurcko testmols.sdf

I obtain the following error: "Calculation name is not found"

Other calculations from cxcalc work fine.

What can be the problem?

Thanks in advance for help!

Hi,

I think the MarvinBeans/plugins/calc.properties file is not set up properly.
The file should look like this:
    https://www.chemaxon.com/marvin/examples/plugin-integration/calc.properties />    
Try to copy calc.properties file from MarvinBeans/examples/plugin-integration/ to MarvinBeans/plugins/ directory.

Best regards,
Laszlo

Thank you, but the problem seems to be not in calc.properties file.

If change directory to ./MarvinBeans/bin and launch plugin like:

cxcalc bemismurcko -h

it is possible to get acces to help part of calc.properties file.

However, the calculation itself doesn't launch, throwing an error:

java.lang.NoClassDefFoundError: BemisMurckoPlugin

 

Best regards

 

Hi,

Sorry for the late answer. I have checked the tutorial.
The example JAR files (BemisMurckoPlugin.jar) on the website and in the MarvinBeans/examples directory are wrong.
Please, try to use the attached file.

If you are interested in an easier way to integrate third-party calculations, visit the following site:
http://www.chemaxon.com/marvin/help/developer/services.html />
Best regards,
Laszlo

Thank you very much indeed for your help!

However, I'm still getting an error, which is Unsupported Class Version Error.

There is JRE v 1.7 installed on my computer. Are there any problems with compatibility?

Best regards,

Elena

Dear Elena,

The previous attached JAR file is compiled using Java 1.7. If your MarvinBeans/bin/java.ini file describes a Java 1.6 location, you get the mentioned exception.
I attached the recompiled JAR (Java 1.6). Try to use it or change the path to your JRE 1.7 location in java.ini file.

Best regards,
Laszlo

Dear Laszlo,

Thank you very much, everything is working now! Changing of .ini file worked for me as well.

Best wishes,

Elena.