standardizer java api-How to get started

Hi,

 

I want to write Java programs that will use ChemAxons Standardizer and Structurechecker API.

Since I am a .Net developer and not so familiar with Java I have a basic question:

What do I need to install to use the above mentioned API's?

I did not found a download link for those APIs . Does that mean I need to install the complete JChem Suite (assuming that this will contain the Java API) or (that would be my preference) is there a way to just download the API files necessary for Standardize respectively Structure checker?

Hope someone can help to get me started.

Thanks in advance

Regards

Hans-Juergen

 

Hi Hans-Juergen,

Quick start guide:

1. Download and install the JChem Java library

Follow the steps described in this github repository. You don't have to launch the application with gradlew, just get jchem.jar library available in your development environment.

Note: the repository on github shows how to use ChemAxon's ECFP implementation.

2. Follow the developers guide of

• Standardizer


• Structure Checker

Hi again,

 

thanks for the reply.

I got standardizer working in an eclipse java program.

Unfortunately I need to call the Chemaxon Standardizer in KNime (on win64bit) using a (KNime) java snippet.

Adding a reference to jchem.jar in a KNime java snippet seems to not work. Adding references to the JChem COM wrappers does work.

So I assume what I need to do is to download the jchem suite archive file, unzip and reference the com wrappers contained in the unzipped folder in my java snippet kNime node.

Is that correct or is there a way to reference jchem.jar in a KNime java snippet node?

I do not know how much you are experienced with calling chemaxon libraries in KNime. May be there is a KNime specialist in the support team.

Thanks in advance

Cheers

Hans-Juergen

We recommend to contact KNIME support. Unfortunately we don't have a KNIME specialist in our support group.