On Thu, 27 Feb 2003, Miguel wrote: > 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? >
I would consider a 20^3 configuration (~ 8000 atoms) to be small- but jmol would not handle much larger than this. On a P4 1.8GHz jmol can several minutes to load such a configuration- rotating it is very slow (although wireframe mode is fine). In contrast- VMD works smoothly with those sizes. It would be great to be able to display such configurations on the web, using the jmol applet. I realise java will never compete with native opengl code- what kind of improvement could you achieve with your performance enhancements? > > There may even be postscript output ... I am somewhat embarassed to say > that I don't know. > There are good postscipt and povray renderers out there (eg. molscript)- perhaps it is not worth it to compete with them. The best thing about jmol is the ability to run it as an applet- so you should try to keep it small and fast. It should also be possible to load modules as required- eg. to do protein specific visualisations, charge fields etc. If it was quick enough it would be nice to connect to the output of a simulation- perhaps you could view the evolution of your simulation over the web? a -- Aonghus Lawlor [EMAIL PROTECTED] 00 353 1 7062418 http://fiachra.ucd.ie/ Irish Centre for Colloid Science & Biomaterials Department of Chemistry University College Dublin
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