On Saturday 18 October 2003 12:23, Valère Swinnen wrote:
>  > Let me know what you think.
>  > Don't hold back ... I didn't
>
> On the contrary I appreciate your honest opinion.
>
> Initially I was thinking about Java3D myself. Some time ago I played a
> bit with it.
> I certainly am not an expert on 3D stuff. To be honest I didn’t find it
> particularly easy to work with but I think the reason for this was I
> didn’t find a good “introduction to Java3D programming” on the net.
> Secondly I had the impression that the development is not exactly a
> priority for Sun so I was not sure if it was such a good idea to use it
> for our project. I thought also that it might be hard to find
> programmers with some experience in Java3D.

Combine that with:

- a few weeks ago Sun announced to be supporting a OpenGL based
  Java3D replacement
- Java3D implementations are known to be *very* buggy
  (which is probably the reason why there are so few people using it)

>  > I think that Java losing mindshare and going "out of fashion" is a more
>  > legitimate concern.
>
> What do you mean by this exactly? Are there any *signs* to support this?
> I had the impression that Java is a settled *thing* in business
> application development.
> Are there any alternatives at the moment? Surely not C#?
>
>  >>I have noticed a considerable improvement in speed compared to 1.4.
>  >
>  > It is good to hear that you think it is faster. Sun PR said that it was
>  > faster. The specific graphics operations I want are still too slow. (I
>  > said that the graphics operations are slow, not that Java is inherently
>  > slow.)
>
> I didn’t do any benchmarking on it but the software I am working on
> showed a considerably improvement on start-up time which actually was a
> pleasant surprise.
>
>  > Now, for my random thoughts. In fact, my blunt advice:
>
> I will give you some more points to consider first.
>
> 1. The molecular modelling stuff will be done in stages. There are
> different levels of modelling possible. Ab-initio is the best but also
> the most CPU intensive. In fact you need a supercomputer or a cluster of
> very big computers to handle at most 100 atoms or so but in the end you
> are sure you know just about anything there is to know about your
> molecule. There are other approaches to do modelling based on
> semi-empirical and empirical algorithms, which are (a lot) less,
> accurate but can handle from thousands until millions of atoms depending
> on the algorithm.
> We would like to incorporate some of the less CPU intensive algorithms
> in our CAMD tool. VASP (or another) would be used separate from our tool
> and is, as you said, for a multiprocessor environment. That is why I
> mentioned that the CAMD tool needs to be able to show the result of the
> simulation. That, but only that!

Toda, I've been working on porting the VASP reader to CDK (cdk.sf.net)
which is the chemical library the Jmol uses... Will upload this tomorrow.

> In fact we would prefer that anybody with a reasonable recent computer
> (2+ GHz) is able to use our CAMD tool. The same holds for the DC client.
>
> 2. [EMAIL PROTECTED] (the first Distributed Computing (DC) project) has been
> developing a general purpose DC environment called BOINC. It is meant as
> a platform for all DC projects. People will be able to switch between
> projects without the need to load another DC screensaver. They will also
> be able to participate at several DC projects at the same time. The
> software is written in C++.
> Although it is not used anywhere at the moment ([EMAIL PROTECTED] will start
> with the distribution for their project soon) most people in our project
> want to use it. I am almost the only one who is opposing it. Some are
> doubting but tend to agree with the majority.
> I am opposing it because I think most make the mistake in thinking that
> “Joe average” is interested in participating in more than one DC
> project. I do not think this is the case. No doubt there *are* people
> that are interested in being able to switch but those are not the
> *average* kind of people.
> I think that *betting on one horse* is not the right way to proceed.
> There are other projects interested in BOINC but they already have their
> own DC environment so for them it is only an additional path to other
> spare CPU cycles. (You can use both environments in parallel on the
> server side). I haven't heard about a new DC project that *only* wants
> to use BOINC (except ours that is).
>
> 3. From the start I was sure we had to add native libraries if we wanted
> to use Java. (It is time consuming to develop molecular modelling
> software even the ones using empirical algorithms). But I thought it
> would not pose a problem using the JNI package. Do you have any
> experience with this?

Not directly... but have a look at JOElib (joelib.sf.net) which is a GPL-ed 
Java chemical library... they use JNI to link with the Ghemical libraries (in 
C++) to do basic quantum mechanics...

> Actually I do not understand why most DC projects do *not* use Java. To
> me it seems the most logical choice as Java (Sun) is mainly focused on
> business application (database access and stuff) and I am sure Java is
> optimised for this kind of applications.
>
>  > I believe that C++ has an advantage over Java in the area of OpenGL
>  > support, but you are not currently thinking of using OpenGL.
>
> Actually I have been thinking about it. One of the reasons I thought
> about Java3D in the first place.
> Am I incorrect in thinking that Java3D uses OpenGL?

Don't remember...

>  > I am not a fan of Java3D ... as a broad market product. Nevertheless it
>  > does work (I assume) and it does have its place. And I think its place
>  > is for applications like yours. Java3D will slowly gain broader support
>  > and acceptance over the coming years.
>
> Why didn’t you use it for Jmol? Was it a personal thing maybe?

No, due to the many Java3D bugs in the implementation *and* that the plugin is 
not available for all browsers/platforms makes it very unportable...

> Why do you think it *has* a future at all? Sun doesn’t seem to promote
> it very much and they don’t seem to work on it (not much anyway). I have
> been thinking about contacting the Java3D developers team about it but I
> haven’t yet. Maybe I should!

See above... look for the press announcement... I really don't think Java3D 
has any future...

And seriously... I think Miguel's engine is more than what we could wish for 
from Java3D...

Egon

-- 
PhD Molecular Representation in Chemometrics
Laboratory of Analytical Chemistry
http://www-cac.sci.kun.nl/people/egonw.html


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