[Joelib-devel] New JOELib release (major feature enhancements)

[Joerg K. W. <we...@in...>]

Hi all,

a new JOELib release with new features is available !
!!! This is developer release, because there are no standard 
applications available for using the new features !!! And i will be 
happy to arrange duties for such applications, but have no time to 
implement them.

Here is the Change Log:
------------------------------------
- interface to the Weka data mining library 
(http://www.cs.waikato.ac.nz/ml/weka/)
- JavaNativeInterface (JNI) to (Lib)Ghemical for calculating Molecular 
Mechanics (MM) and rotate bonds 
(http://bioinformatics.org/project/?group_id=41).
- fragmentation methods for molecules
- generation method for molecules using a scaffold and R-groups
- JDBC data base interface

- bug fixes:
--- corrected ant build file for missing CDK libraries

which is also available under:
https://sourceforge.net/project/shownotes.php?group_id=39708&release_id=172841

Be aware that the LibGhemical connection works *ONLY* under
Cygwin/Windows and Linux/IBM-JRE-1.4
... this interface is still beta and depends on a bug free JDK/JRE (so 
Linux SUN-JRE will definitely not work and the Windows version could be 
much more stable ... in my opinion ... unfortunately the Windows-IBM-JRE 
is only 1.3 and not 1.4 which will be required here).
... feel free to modify the interface for your requirements
... i'm still interested in a method for calculateing molecular surfaces 
(using Ghemical) and would be happy about some helping hands

Regards, Joerg

-- 
Dipl. Chem. Joerg K. Wegner
Center of Bioinformatics Tuebingen (ZBIT)
Department of Computer Architecture
Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071 29 78970
Fax: (+49/0) 7071 29 5091
E-Mail: mailto:we...@in...
WWW:    http://www-ra.informatik.uni-tuebingen.de