Re: [Avogadro-devel] Symmetry element rendering

2015-08-21 Thread Marcus D. Hanwell
On Wed, Aug 19, 2015 at 11:26 AM, Marcus Johansson mcode...@gmail.com wrote: Hi Was wondering if anyone has some input on rendering symmetry elements in Avogadro v2. There is a need for “disc” (mirror plane) and “vector” (rotation axis) geometries as well as alpha in order to make things

Re: [Avogadro-devel] Symmetry element rendering

2015-08-21 Thread Marcus Johansson
Any chance someone could apply this patch to the avogadro v1 master symmetry extension /libmsym? https://github.com/mcodev31/libmsym/commit/b2945fa8a5d7027f6afd8297af465f61981b9ba3.patch I don’t have a fork and pressed for time. It won’t build with g++ only with clang (requires VLA). Might

Re: [Avogadro-devel] Symmetry element rendering

2015-08-20 Thread Geoffrey Hutchison
First off, a quick introduction to others - Marcus has been working on the libmsym library, which is now being used in Avogadro V1.x for point group symmetry detection and symmetrization. He's been working on what looks like a cool integration for AvoV2... Was wondering if anyone has some