Home   Manual

Improved polygon rendering

Dear All,
I would like to suggest some modifications for the future software updates. The community of amorphous materials (glasses) needs geometrical shapes (tetrahedra, octahedra, cubes, Icosahedron … see the picture) to represent the elementary structures of glassy structures.

For the moment with the software Avogadro one can only draw polygons.

These are all polygons - while there may be bugs with the implementation in Avogadro v1, all of these structures are possible with that display type as far as I know.

If you’d like to add comments, the appropriate feature request for Avogadro v2 is here:

Thank you very much I will check

Just as an update, it doesn’t seem that the “polygon” setting does a good job of rendering polyhedral coordination geometries. Here is an example of R-IrO2, which has a fairly simply structure of octahedras.

Does anybody have any insight into how to improve Avogadro for this use case or any other software that can achieve this (I’m already aware of VESTA).

Yes, the Materials Project folks suggested some “quick convex hull” algorithms. The main problem with the current version in Avogadro is that it gets the vertex order wrong sometimes, and the rendering ignores it.

It’s on the ‘to do’ list, but finding help to work on it would speed it along greatly.