[Joelib-help] Matlab interface

[Christian M. <cm...@mp...>]

Dear JOELib Users and Developers,

I have two problems using JOELIB with Matlab :

- Only one of the Matlab examples work, the other one gives an error:

>> loaddescriptors('test_moe_desc.mol', 'SDF');
??? Java exception occurred:
java.lang.NoClassDefFoundError: java/lang/CharSequence
      at
joelib.molecule.GenericDataHolder.getData(GenericDataHolder.java:449)
      at joelib.molecule.JOEMol.getData(JOEMol.java:3252)
      at
joelib.util.iterator.NativeValueIterator.hasNext(NativeValueIterator.java:136)
.

Error in ==> C:\Documents and Settings\Administrator\My
Documents\Projekte\Matlab\Toolboxes\joelibToolbox\loaddescriptors.m
On line 42  ==> hasNext=native.hasNext;

>> version

ans =

6.5.0.180913a (R13)

>> version -java

ans =

Java 1.3.1_01 with Sun Microsystems Inc. Java HotSpot(TM) Client VM
    (mixed mode)

I'm using Matlab 6.5 under Windows 2000 on a Thinkpad.


- I would like to write a simple Matlab script that reads all the molecules
from an SDF file, add hydrogens where necessary and corrects aromatic
bonds.
 The corrected structures I would like to convert to Matlab data types,
just a list of element types for each atom and a connectivity matrix. Since
I'm absolute
beginner in Java, I don't know where to start here. Could you give me some
hints ?


Best regards,
Christian Merkwirth