License to use

We have license to jklustor, I can do Bemis-Murcko scaffold analysis using jklustor.
But when I try to use the API class: chemaxon.marvin.calculations.StructuralFrameworksPlugin
It seems to require another license, which seems a bit confusing.

Thank you for your request. We would like to reproduce the error first.

Could you please tell me which version do you use?

Would it be possible to get the relevant part of your example and the error message that you experienced?

Thank you,

Miklos

Please find the Java source code and error message below.  My guess is both Jkluster and Structural Frameworks Plugin are licensed, although Jkluster is build on the top of Structural Frameworks Plugin and other plugins.

===source code

package org.gnf.jchemutil;

import java.util.List;
import java.util.ArrayList;

import chemaxon.descriptors.CFParameters;
import chemaxon.descriptors.ChemicalFingerprint;
import chemaxon.descriptors.ECFP;
import chemaxon.descriptors.ECFPGenerator;
import chemaxon.descriptors.ECFPParameters;
import chemaxon.descriptors.MDGeneratorException;
import chemaxon.descriptors.MolecularDescriptor;
import chemaxon.formats.MolImporter;
import chemaxon.jchem.version.VersionInfo;
import chemaxon.sss.SearchConstants;
import chemaxon.sss.search.MolSearch;
import chemaxon.struc.Molecule;
import chemaxon.util.MolHandler;
//import chemaxon.marvin.calculations;

public class TestLicense {

    public static void SetLicense() throws chemaxon.license.LicenseProcessingException {
        chemaxon.license.LicenseManager.setLicenseFile("/projects/LDWeb/license.cxl");
    }

    public static String[] BMScaffold(String[] S) throws MDGeneratorException,chemaxon.marvin.plugin.PluginException, chemaxon.formats.MolFormatException {
                int n = S.length;
        String[] Scaffold =  new String[n];
        chemaxon.marvin.calculations.StructuralFrameworksPlugin plugin = new chemaxon.marvin.calculations.StructuralFrameworksPlugin();
        // set framework type
        plugin.setType(chemaxon.marvin.calculations.StructuralFrameworksPlugin.FrameworkTypes.bemismurcko);
        plugin.setLfin( true );
        for (int i=0; i<n; i++) {
                         Molecule m = MolImporter.importMol(S);
            if (m==null) continue;
            try {
                plugin.setMolecule(m);
                plugin.run();
                // get result
                Scaffold = plugin.getResultMolecule().toFormat("smiles:au");
                // print result
                System.out.println("Bemis-Murcko framework in SMILES format: "+Scaffold);
            } finally {
            }
        }
        return Scaffold;
    }

    public static void main(String[] args) throws Exception {
        SetLicense();
        String[] S=new String[2];
        S[0]="CNC1=NC=NC(=C1)N(C)C(=O)NC2=C(C)C=CC(NC(=O)C3=CC(=CC=C3)C(F)(F)F)=C2";
        S[1]="CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC3=NC=CC(=N3)C4=CC=CN=C4";

        BMScaffold(S);
    }
}

=== error message

Exception in thread "main" chemaxon.license.LicenseException: No valid license has been found.
Product name: Structural Frameworks Plugin
License path: /projects/LDWeb/license.cxl
Please contact sales _at_ chemaxon.com to obtain the corresponding license.
Students and academic researchers are entitled of free use
through our Academic Package, for more information
please visit: http://www.chemaxon.com/acpack_conditions.html />        at chemaxon.license.LicenseHandler.checkLicense(LicenseHandler.java:567)
        at chemaxon.marvin.plugin.CalculatorPlugin.checkLicense(CalculatorPlugin.java:578)
        at chemaxon.marvin.calculations.StructuralFrameworksPlugin.run(StructuralFrameworksPlugin.java:279)
        at org.gnf.jchemutil.TestLicense.BMScaffold(TestLicense.java:39)
        at org.gnf.jchemutil.TestLicense.main(TestLicense.java:56)

Dear All,

 

Thanks again for the report and sorry for the inconvenience this issue might caused. Doug will contant you to resolve this licensing issue.

 

Regards,

Gabor