[ase-users] Pure python ASE viewer

[Noam Bernstein]

Ask - I think most of what you want in terms of low level functions (e.g. isosurface object, GPU acceleration), is what frameworks like vtk provide (and are easy to install with pip, unlike, as far as I can tell, tkinter).  If you want to go about implementing the bottom-up approach, I'd strongly suggest you check out vtk, because I think it would provide pretty much all the pieces you need.  However, to get interactivity, I don't think anything less than going all in with vtk's implementation of renderers, camera controls, interactors, etc is practical.  

However, what I want is more like an integrated interactive tool (i.e. a replacement to jmol and/or VESTA which practically my group uses), rather than individual python routines that would have to be strung together with a CLI/GUI.  I'm going to think about refactoring my code so that portions of it could function a bit more like the existing ase.gui, and perhaps could be used as your bottom-up atom visualization piece, and I'll let the list know if/when I get it in shape to release.

										Noam