User dc9564761a
11-05-2012 21:30:13
Hi all,
This is my first post on the forum. I have installed Marvin Sketch and the corresponding marvin beans from Java. I have managed to import a simple SD file and convert it into Smiles, Inchi and other formats but I'm having problems with IUPACNamingPlugin. I initialize a new plugin as follows:
IUPACNamingPlugin pl = new IUPACNamingPlugin();
then, I simply do a:
pl.setMolecule(molecule);
pl.run();
System.out.println(pl.getPreferredIUPACName());
and although naming runs from within the GUI, from Java it throws the following exception:
Exception in thread "main" chemaxon.license.LicenseException: No valid license has been found.
Product name: Structure to Name Plugin
License path: /home/user/.chemaxon/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:562)
at chemaxon.marvin.io.formats.name.nameexport.IUPACNamer.checkLicense(IUPACNamer.java:54)
at chemaxon.marvin.io.formats.name.nameexport.IUPACNamer.generateName(IUPACNamer.java:45)
at chemaxon.marvin.io.formats.name.NameExport.convert(NameExport.java:66)
at chemaxon.marvin.calculations.IUPACNamingPlugin.getName(IUPACNamingPlugin.java:227)
at chemaxon.marvin.calculations.IUPACNamingPlugin.getPreferredIUPACName(IUPACNamingPlugin.java:191)
at org.chemaster.Chemaster.main(Chemaster.java:41)
Java Result: 1
Additionally, I have installed all necessary licenses as to be able to run Marvin Sketch and, indeed, when using the GUI everything goes like clockwork.
Any suggestions?