Bob Hanson wrote:
Chris, can you briefly summarize the state of the CUBIC project?
My research group at Cologne University Bioinformatics Center (CUBIC) is
developing some projects in NMR spectroscopy, including code for
computer-assisted structure elucidation and an NMR database named NMRShiftDB
(http://www.nmrshiftdb.org).
Our work has always been open source/open content.
Further, we have contributed code to the Jmol projects from the very beginning,
dating back to the time when Dan Gezelter started the project.
The first one was a Gaussian parser for displaying calculated NMRShiftDB
annotated to atoms in Jmol.
The NMRShiftDB site shows some of our code. Choose one of the structures on the
front page to go to an example dataset and then switch to interactive mode using
the link about the structure gif.
We, as has been mentioned before in this thread, maintain the
http://sourceforge.net/projects/jcamp-dx package.
This package was originally developed by Creon Labcontrol, and was, AFAIK,
supposed to be some kind of Java reference implementation of a JCAMP
parser/writer. I'm in contact with Robert Lancashire and we'll check how to join
forces there.
The goal of our developments is to get a set of tools (IO, plugins, applets) for
handling structures, spectra and theirs assignments, in terms of IO, display and
manipulation.
Most of the GUI widgets that we developed, are now incorporated as plugin into
Bioclipse (http://www.bioclipse.net), which can later be branded to be whatever
platform independent application you like it to be - but that is still a way to go.
As you will notice, much of this is not applet- but stand-alone-app-related.
Cheers,
Chris
Bob Hanson wrote:
Chris, can you briefly summarize the state of the CUBIC project?
--people
--activity
--accomplishments to date (particularly in the applet display area)
--goals/timeline
Thanks
Bob Hanson
Christoph Steinbeck wrote:
peter murray-rust wrote:
At 05:01 05/02/2006, Bob Hanson wrote:
I'd be interested in hearing from shravan about plans for this JCAMP
business.
The reason I ask is that Robert Lancashire already has a Java applet
that is
pretty advanced as a JCAMP reader, and he is developing it in
conjunction with
Jmol.
Robert's original code was not Open - I believe his recent work is
aimed towards Open code but I am not sure where it has got to.
I have copied in the BO mailing list as this may go beyond Jmol.
CUBIC has code for management display and we are working with them on
CMLSpect - we are meeting this week so this is timely.
I'd like to add that we - here at CUBIC - are also maintaining the
reference implementation of IUPAC of a JCAMP java parser/writer,
originally created by Creon Labcontrol as part of their involvement
with the respective IUPAC committee.
The project lives at http://sourceforge.net/projects/jcamp-dx.
Cheers,
Chris
--
Priv. Doz. Dr. Christoph Steinbeck ([EMAIL PROTECTED])
Head of the Research Group for Molecular Informatics
Cologne University BioInformatics Center (http://almost.cubic.uni-koeln.de)
Zülpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786
What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..
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