Hi George,
On Tue, Nov 16, 2010 at 3:40 PM, George Papadatos <[email protected]> wrote:
> Hi guys,
> I installed the RDKit nodes for KNIME (by copying the plugins folder
> manually, as I too had problems with the 'update from file' feature).
hmm, it's interesting that this is a problem. I will pass this message
along to the knime guys as well; maybe whatever is in common between
your system and Paul's will help them track it down.
> Inspired by the source code that was bundled with the nodes, I tried to use
> the RDKit libraries in KNIME/Eclipse in order to develop my own nodes based
> on the RDKit toolkit.
> For example:
> import org.RDKit.RDKFuncs;
> import org.RDKit.ROMol;
> public class RDKitTest {
> public static void main (String[] args) throws Exception
> {
> ROMol mol = null;
> String smi = "c1ccccc1N";
> mol = RDKFuncs.MolFromSmiles(smi);
> System.out.println(mol.getNumAtoms());
> }
>
> However, this script throws the following runtime error:
> Exception in thread "main" java.lang.UnsatisfiedLinkError:
> org.RDKit.RDKFuncsJNI.MolFromSmiles(Ljava/lang/String;)J
> at org.RDKit.RDKFuncsJNI.MolFromSmiles(Native Method)
> at org.RDKit.RDKFuncs.MolFromSmiles(RDKFuncs.java:65)
>
> In the Eclipse lib folder, I included all the .jar files and the
> RDKFuncs.dll.
> Any ideas???
To be honest I haven't tried installing the source and building from
that. Hopefully when the source is in a publically accessible
repository (early December), this will get easier. In the meantime you
might want to try copying the .dll to the root folder of the
org.rdkit.knime.types directory and seeing if that helps. If it
doesn't your best bet is probably to ask on the knime forum. I'm
afraid my eclipse/java/knime-development skills were just barely
adequate to do prototype nodes; details of setting up a development
instance are waaaay beyond me. :-S
-greg
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