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