VMD-L Mailing List
From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Mon Apr 04 2016 - 17:06:46 CDT
Could you be a bit more specific? I happen to have recently acquired
some experience in generating large spheres of repeated molecules. What
I found to be the most difficult was generating approximately uniform
points on the spherical surface (which I solved by looking into
Fibonacci Spheres, which are approximately uniform for large enough N).
From there, each molecule needs to be reoriented so that it is pointing
the right (or in a random) direction.
I don't think VMD has an automatic tool to do this, but conceptually its
a straightforward problem in scripting, which I encourage you to pursue.
On 04/04/2016 03:16 PM, Olya Kravchenko wrote:
> Hi all,
> I wonder if anyone has experience constructing a spherical molecule
> starting with one chain? I have the complete spherical structure
> already, but it was inherited and I'd like to learn how to construct
> one myself.
> All I can think of is just manually put it together chain by chain
> (should be 24 chains). Are there any automatic tools for such a task?
> Something that would create spherical symmetry?
> Thanks in advance!