On Wed, Nov 26, 2008 at 2:59 PM, Eugene Zelenko
<eugene.zelenko(a)gmail.com> wrote:
Hi!
On Tue, Nov 25, 2008 at 7:58 PM, geni <geniice(a)gmail.com> wrote:
2008/11/26 Eugene Zelenko
<eugene.zelenko(a)gmail.com>om>:
Hi!
Just re-incarnation of old idea to support 3D image of chemical
structures... I played a little bit with Kalzium in KDE 4 today and
discovered molecule viewer which render molecules in Chemical Markup
Language.
How does it know how to render say cyclohexane?
See sample files in
http://websvn.kde.org/trunk/KDE/kdeedu/kalzium/data/molecules/.
Once upon a time, I had suggested to render SMILES [1] from wikitext:
<smiles>N[C@H](C)C(=O)O</smiles> for D-alanine
Bur, conversion seems to be tricky, and I didn't find a
straightforward way to convert them to PNG with free software.
So, uploading chemicals as CML seems to be a sensible option. It would
be more flexible, though it will take more time/knowledge to create
CML files.
We might want to think about "embracing and extending":
<name convention="wikipedia">Methane</name>
A Java-Plugin is fine, as long as we render PNGs by default. I for one
don't want to wait for Java to load and grab my resources each time I
see a Wikipedia page with a molecule...
Cheers,
Magnus
[1]
http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html