From: Joerg K. Wegner <wegnerj@in...> - 2004-12-06 16:23:57
JOELib was heavily redesigned. The new version contains the following
- homogenized class names and package names
- better interface/implementation separation for molecule/bond/atom
- common assignment tasks (aromaticity, kekule, closure bonds, ...) are
now treated as atom/bond labels, the caching is done by the feature
caching, which was already available, e.g. for distance matrix, BCUT,
This means that JOELib supports now 136 features, where 65 are ONLY the
atom and bond labels, so by using features using them, e.g. RDF, we can
easily calculate: 40atomlabels x 100RDF = 4000RDF, if we also use ... :-)
Please note that this version is absolutely incompatible with previous
releases, and it is still pre-alpha, so the interface and the
implementation can still change, but not as heavily as already done.
What are the problem:
- So any helping hands updating the API documentation are highly welcome !!!
- Furthermore some comments on the actual interface would be fine.
These version is available via CVS:
cvs checkout joelib2
The pre-alpha distributions will be published at the web site.
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
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