Magnus Manske wrote:
I saw a nice command line utility which can generate GIFs from SMILES, a simple chemical markup language. Examples can be found here: http://www.daylight.com/dayhtml/tests/test-smi2gif.html
Can anyone find out
- if this is PD/GPL
- how to integrate it into wikipedia (SMILES->GIF->PNG???)
I would really like to have that one.
Magnus
No, smi2gif appears to be proprietary closed-source software. Quote: "The program is a combination of the Daylight SMILES, DEPICT, and DCGI toolkits and the CEX gif-formatting utility."
On the other hand, _this_ Java-based project: http://jmdraw.sourceforge.net/ _does_ appear to be what we want. Quote: "The JMDraw/SMILESViewer project was started by Christoph Steinbeck http://www.ice.mpg.de/%7Estein from the ChemoInformatics group http://www.ice.mpg.de/departments/ChemInf/ at the Max-Planck-Institute of Chemical Ecology http://www.ice.mpg.de in Jena. It is an Open Source project, the sources are published under GNU Lesser General Public License, LGPL http://www.gnu.org/copyleft/lesser.html. " Next question -- can it be run on an entirely open-source infrastructure?
-- Neil