Can you describe this a bit more?
A few other comments:
- Fragments to insert, and it will be good if we can point to the exact atom where to put them
This is coming. I have a new fragment builder tool. You’d be able to point to one atom (or more, e.g. bidentate ligands)
- Labels for atoms/amino acid residues
This was part of last year’s GSoC. There’s even a new label tool to add custom labels to atoms.
- Generation of high-resolution images. Also, vector images would be highly appreciated, since I never saw an application that can generate them correctly.
Marc added a simple SVG export, but we can definitely build on that.
- Surfaces! Not only orbitals, but ESP with coloring, .cube data…
Cube data should already work, but yes, the project for surfaces would include mapping properties, ESP, etc.
- Vibrations and IR spectra
You can animate vibrations now, but plotting spectra is important. Actually, I should go add that to the project list.