On 07/26/2012 11:09 AM, Andreas Truszkowski wrote: > Hi, > > I am looking for a more performant method to manage several hundred > models. Every model is a timestep in a simulation and consists of > >100000 atoms. Currently, my solution holds the models as XYZ data in > the memory and injects the data with JmolViewer.evaluateString when the > user adjusts a slider control. The memory usage of about 2gigs for 500 > models with each around 100000 atoms is fair, but the speed to perform a > switch between a model could be faster. It takes a bit below a second. > The script looks like that: > > "set autobond OFF;load DATA "model data" > 5660 > C6E3 > H 25.23 30.228 4.562 > H 25.02 28.878 5.607 > ...... > end "model data" > set showBoundBox TRUE;slab ON;set zshade on;set slabByAtom TRUE;set > zShadePower 2;slab 100;set zslab 90;" > > However, my question is, is there a smarter way to increase the > performance when switching between two models. I have tried to append > the 500 models and only showing the active one, but the memory usage > explodes. Perhabs is there another storage format which is more > convenient for Jmol than XYZ. But on the other hand XYZ is so easy to > assemble... > > Any solutions are welcome. > Instead of preloading all 500 models you might preload only for example +/-5 models around the current model. After moving the slider you would first show the next model that is already loaded and then preload/remove the models accordingly.
But while writing this I remembered that deleting atoms actually only marks them as deleted. So you still would have the memory problem. A real delete option would be necessary for this solution. Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: [email protected] Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 296, Amtsgericht Jena Tax Number: 162/141/08228 ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
