Aonghus,

Thank you for taking the time to respond to my posting regard Jmol 3D
rendering functionality.

> I am an occasional user of jmol (along with other similar programs eg
> VMD, pymol). Jmol has great potential (especially as an applet)- I have
> used jmol to render configurations from simulations (basically large
> molecules with no bonds). For this, Jmol is _very_ slow to load and
> display the configuration- and basic operations like rotation and
> zooming are very slow.
I don't know if you have had a chance to use the development version of Jmol.

The work I have been doing on jmol the last few months has been focused on
performance and rendering quality. We are hoping to release it (Jmol v6)
within the next few weeks.

I would be *very* interested in getting your feedback on Jmol 6 performance.

How big are the molecules you are working with?

What kind of hardware are you running on?

> While this is not the central focus of Jmol
> development I think it must be an issue for all users. It seems to me
> that moving to Java3D for the rendering will make things worse.
I agree.

>
> The focus of Jmol should be (in my opinion) to offer a fast, simple
> pseudo-3D view of a molecule. If you can also do that with a small and
> fast applet- that is great.
OK

> For high quality rendering the focus should
> be on developing better povray and postscript output filters. This seems
>  like an acceptable separation of functionality- for a 3D viewer you
> want  to be able to manipulate the molecule quickly and quality is not
> so  important- for printing or publication you want high quality but all
> you  need is a static image (=> use postscript or povray). If jmol could
>  provide both things- flexible, fast 3D visualisation and high
> (publication) quality output- it would be a fantastic project.
The Jmol application has the ability to generate povray output. I have, in
fact, been using that as the metric to measure the quality of the jmol
shaded sphere rendering.

There may even be postscript output ... I am somewhat embarassed to say
that I don't know.

Again, the Jmol 6 (development) version is slightly better on the
parameters it outputs to povray. Have you had a chance to check out the
povray generated by Jmol? What do you think?

> It might be interesting to check out a similar project: ymol
>
>       http://www.teoroo.mkem.uu.se/daniels/ymol.html
Thanks for the reference. I am not familiar with this project, but will
check it out.

Miguel





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