ANNOUNCEMENT: JChemPaint V. 0.5
- From: Christoph Steinbeck <steinbeck : at :
ice.mpg.de>
- Organization: Max-Planck-Institute of Chemical Ecology
- Subject: ANNOUNCEMENT: JChemPaint V. 0.5
- Date: Thu, 27 Jan 2000 15:44:41 +0100
It is my pleasure to to announce the release of JChemPaint V. 0.5
JChemPaint is a Java 2 program for drawing 2D chemical structures like
those found in most chemistry textbooks. Its GUI is based on the Swing
tool kit. The program is developed as an Open Source Project and
released under GNU General Public License. The code should be considered
alpha quality, but there are enough features implemented to get an idea
about where the program development is heading.
JChemPaint development is coordinated by Christoph Steinbeck and his
Chemical Information group (http://www.ice.mpg.de/departments/ChemInf)
at the Max Planck Instiutute of Chemical Ecology
(http://www.ice.mpg.de).
Version 0.5 now features:
1.A subset of the regular drawing features of commercial programs, as
there are
drawing of single, double, triple and stereo bonds.
stereo bonds
deletion of bonds and atoms
ring templates (3-8)
one-click attachment of ring templates to an atom or a bond
flipping and rotating selected parts of the molecule
2.Loading and saving of structures in Chemical Markup Language (CML) and
as MDL Molfiles.
3.Automated Structure Layout, also known as Structure Diagram
Generation.
4.Loading structures over the Internet from the "Dictionary of Organic
Chemistry" (http://www.sci.kun.nl/woc/) using the CAS number.
More information as well as a download option can be found on
http://www.ice.mpg.de/~stein/projects/JChemPaint/
People a sought to join the development of JChemPaint. JChemPaint is
associated with the OpenScience project (www.openscience.org) and the 3D
molecular viewer JMol (http://www.openscience.org/jmol/), both initiated
by Dan Gezelter at Columbia University
(http://www.chem.columbia.edu/~gezelter/).
I'd be happy to get some feedback from people who have downloaded the
program and got it up and running.
Cheers,
Chris
--
Dr. Christoph Steinbeck (http://www.ice.mpg.de/~stein)
MPI of Chemical Ecology, Tatzendpromenade 1a, 07745 Jena, Germany
Tel: +49(0)3641 643644 - Fax: +49(0)3641 643665
What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..