VMD-L Mailing List

From: Huinink, H.P. (h.p.huinink_at_tue.nl)
Date: Thu Jul 02 2015 - 04:31:52 CDT

Dear all,

Since a few weeks I have started to work with VMD. As I work a lot with crystalline materials, polyhedra makes visualization a lot more easier. VMD has a nice tool for drawing polyhedra. Unfortunately it only selects on the basis of distances and not on basis of atoms.

Strolling to the mailling-list archive, I have seen that this topic already a few times has been discussed. I also got the impression that a few years ago there have been a few tests with codes already. However, I could not find more details.

Is anybody you aware of scripts/plugins that can do the following job:
- draw polyhedra
- use as an input distances and atom types

Regards,

Henk Huinink