[Kalzium] Kalzium Molecular Viewer, Editors, and Avogadro

Carsten Niehaus cniehaus at gmx.de
Wed Jul 5 20:43:48 CEST 2006


Am Mittwoch 05 Juli 2006 20:09 schrieb Geoffrey Hutchison:
> I'm curious. Is Kalzium seriously interested in adding a molecular  
> editor? 

It was not until 2 minutes ago ;-)

> Or would it be OK if there just happened to be a separate   
> project that probably shares a lot of code with Kalzium. (I intend to  
> shamelessly borrow/adapt/steal the viewer code.)

I won't sue you ;-) Seriously: I think that the only sane thing you can do is 
to use all of our opengl-code. Benoit (the one who send you the math-mail 
yesterday) is doing all the 3D and OpenGL-stuff. We are trying to use as much 
as possible of OpenBabel2.1. It seems that we already reach the limits in 
some cases, I hope Benoit will find time and motivation to improve that stuff 
in OpenBabel.

> Would it make sense to work together? 

Beware: Kalzium is now using Qt 4.2.

> For example, that the   
> rendering, etc. is all the same, but Avogadro adds editing features  
> and plugins? If there's interest, I'll be glad to e-mail my more  
> detailed plan.

Of course it would be cool if you would code Avogadro in a way that Kalzium 
would just use it (on compiletime check if libavogadro is available and then 
activate it). There is a lot going on in the 3D/GL-Stuff of Benoit. All of 
our code is in KDE's repository. Not sure how to handle codesharing...

I want Kalzium to improve and mature into a more "professional" way. I am a 
teacher of biology and chemistry and always have that in my personal roadmap. 
I think editing fits well.

Btw: Do you have ICQ or preferably Jabber? cniehaus at jabber.org

-- 
Gruß,
  Carsten Niehaus
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