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great
by superstoned on Thursday 31/Aug/2006, @04:18

great article! and Carsten did a wonderfull job on Kalzium - the KDE 4 version is gonna be very cool with the openGL stuff ;-)

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Re: great
by Mark Williamson on Thursday 31/Aug/2006, @08:21

Are there any specific plans for OpenGL stuff? I've not heard of any concrete plans.

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Re: great
by Benoit Jacob on Thursday 31/Aug/2006, @08:43

Well, you can already see part of it working in SVN. Currently, the rendering of molecules is implemented and already quite optimized, with a special focus on machines without hardware acceleration. The things that remain to be done are: a comfortable mouse-based 3d navigation system, the ability to display some information like angles and element names in the 3D view, and a few other things. We also plan to do the same for crystal structures -- currently there is only a molecule viewer, but we'll also add a crystal viewer.

You can read more about that in Carsten's blog or in some commit-digest.

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Re: great
by Carsten Niehaus on Thursday 31/Aug/2006, @10:14

For the interested: This is the URL to my blog

http://cniehaus.livejournal.com/

These two might be interesting WRT to OpenGL.

http://cniehaus.livejournal.com/23572.html
http://cniehaus.livejournal.com/24404.html

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Re: great
by Mark Williamson on Thursday 31/Aug/2006, @17:56

Wow, pretty molecules! :-)

I'm curious: who do you see as the users you're aiming for with Kalzium? It looks like it's acquiring features that would be useful to progressively more advanced students of chemistry - would you say this is true?

The ability to work with chemical equations would certainly have been useful to me back when I studied chemistry in school, but I understand in Kalzium that's now supported too :-)

Cool stuff! Had you considered providing any wikipedia integration, by the way? Obviously Kalzium can offer many things that wikipedia can't, but it'd maybe not be too hard to provide links or integrated views of wiki content for those who like to read more verbose descriptions of things, or research related information? Just an idea, anyhow.

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Re: great
by cm on Thursday 31/Aug/2006, @22:36

I don't know about the current status but it is on the list of ideas for integration of KDE and Wikipedia:

http://meta.wikimedia.org/wiki/KDE_and_Wikipedia

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Re: great
by Carsten Niehaus on Friday 01/Sep/2006, @00:40

> who do you see as the users you're aiming for with Kalzium?

As a teacher: Students (uni+school). But of course also just everybody who needs access to chemical information. All the new features are more for the professional, yes. But I try to keep the GUI simple, so that shouldn't be a problem.

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Re: great
by Geoff Hutchison on Tuesday 05/Sep/2006, @08:37

I should also point out with Benoit and Carsten's responses, that some of the Kalzium 3D Open GL code is going into a new Qt/KDE project for more advanced viewing/editing of molecules, crystals, and other chemistry data.

This is code-named "Avogadro" and we're working pretty closely with the Kalzium project to share code as much as possible. (Hopefully there will eventually just be one OpenGL widget.)

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