On Thu, Aug 8, 2013 at 12:48 PM, Hyun-seok Kim <roite...@snu.ac.kr> wrote: > Hi, I’m Hyun-seok Kim a graduate student at Seoul National University in > South Korea. > > While using the ‘nanotube builder’ included in Avogadro I’ve noticed that > (n,m) specification of nanotube is restricted maximum up to 9. > > Is there a particular reason?
The nanotube builder uses the TubeGen code to generate the nanotube geometry, and the algorithm used can be very slow for large chirality indices. We've clamped the values to produce structures that can be built in a reasonable amount of time. Why 9? Probably because it's the largest single digit number :) We could increase the limit if people are regularly working with larger tubes. > Furthermore, it will be nice to know how can I draw a nanotube with (n,m) > indexes over 9. > > Such as (12, 0) or (12,1). At this time, you'd need to modify the Avogadro source code and recompile the executable, but that is a complicated task unless you're familiar with software development. For now, I'd recommend just using TubeGen through the author's web interface: http://turin.nss.udel.edu/research/tubegenonline.html IIRC, it will produce a .xyz file that can be opened in Avogadro. Hope this helps, Dave ------------------------------------------------------------------------------ Get 100% visibility into Java/.NET code with AppDynamics Lite! It's a free troubleshooting tool designed for production. Get down to code-level detail for bottlenecks, with <2% overhead. Download for free and get started troubleshooting in minutes. http://pubads.g.doubleclick.net/gampad/clk?id=48897031&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
