One thing that came up in the survey results were users unsure of how to change bond lengths, angles, dihedrals to particular values.

I see that as a documentation problem (e.g., hey, you can already do that by changing values in the property tables) but also a discoverability problem.

I can think of a few ways to make it possible to edit particular values in the tools:

  • allow entering specific values in the bond-centric manipulate tool (good idea, but how to edit specific angles or dihedrals)
  • allow editing values using the measure tool
  • both

The bond-centric manipulate tool already has code to change bonds, angles, etc. but it’s free-form. It seems like the best place to start, since it already has the right name.

  • start a move and then type a value (like Blender) - useful but not discoverable
  • add a panel to the tool options - but then which angle or dihedral?

The measure tool could easily add a tool panel, but how many people would think to use the “measure” tool to change a length?

Also, if you have two molecules and want to change the distance between them, what’s the most intuitive way to do that?

Thoughts? Ideas?