joelib-help

[Joelib-help] Definition of a molecular graph and a new release

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

Hi Egon,
Hi all,

i've released a new JOELib version
http://sourceforge.net/projects/joelib/

with the following changes:

- Extended tutorial introducing formally molecular graphs.
   This is especially interesting for the Octet interface and
   the QSAR project.
http://www-ra.informatik.uni-tuebingen.de/software/joelib/tutorial/JOELibPrimer.html

- E/Z SMARTS matching and adding improved autodetection for 2D/3D 
structures if not using SMILES as input.

- Extensive PMD, JavaNCSS offline statistics, so on long term runs there 
are some non-functioanlity things to do ... just for improving the 
design and becoming more user friendly :-)
http://www-ra.informatik.uni-tuebingen.de/software/joelib/statistics.html

Kind 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
--
Never mistake motion for action.
                                     (E. Hemingway)

Never mistake action for meaningful action.
                                (Hugo Kubinyi,2004)

[Joelib-help] Re: [Cdk-devel] Definition of a molecular graph and a new release

[Egon W. <eg...@us...>]

On Monday 26 July 2004 00:05, Joerg K. Wegner wrote:
> - Extensive PMD, JavaNCSS offline statistics, so on long term runs there
> are some non-functioanlity things to do ... just for improving the
> design and becoming more user friendly :-)
> http://www-ra.informatik.uni-tuebingen.de/software/joelib/statistics.html

That's a nice page... how did you create those in-time statistics?
Are the scripts in JOELib CVS?

Egon

-- 
eg...@sc...
GPG: 1024D/D6336BA6

[Joelib-help] Re: Definition of a molecular graph and a new release

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

Hi Egon,

sorry for cross-posting, but this is interesting for all 
java-project-admins.

good old ANT, i've attached the build file, no it's not in the CVS. I've 
  simply used all old sf-source-code-releases to get an objective PMD 
measure.

Unfortunately setting properties seems only to work sometimes ?
I don't get it.
So, i've started the script for each PMD metric.

You can download the required libraries at:
http://sourceforge.net/project/showfiles.php?group_id=39708&package_id=108845

Kind regards, Joerg

> On Monday 26 July 2004 00:05, Joerg K. Wegner wrote:
> 
>>- Extensive PMD, JavaNCSS offline statistics, so on long term runs there
>>are some non-functioanlity things to do ... just for improving the
>>design and becoming more user friendly :-)
>>http://www-ra.informatik.uni-tuebingen.de/software/joelib/statistics.html
> 
> 
> That's a nice page... how did you create those in-time statistics?
> Are the scripts in JOELib CVS?
> 
> Egon
> 


-- 
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
--
Never mistake motion for action.
                                     (E. Hemingway)

Never mistake action for meaningful action.
                                (Hugo Kubinyi,2004)