New Fragments for Surface Catalysis

[matterhorn103]

@joerivan

I guess you would need to first add a dummy to than replace by the surface fragment.

Sort of. As it stands, fragments are added in two possible ways:

1. You click on either a hydrogen atom or a dummy atom, and it is replaced with the currently selected fragment

2. You click on empty space, and the fragment is added at that position (with the centre of mass being positioned where the mouse cursor is)

Ideally for surfaces you would click-and-drag from one of the surface atoms, right?

This is incidentally one of the reasons that I proposed combining the Draw and Template tools – you would then have the flexibility of the Draw Tool when adding a fragment, and click-and-drag would be a natural part of it.

Specifically for CH and CH2 though, these are very simply groups, so why do you need to add them with the Fragment Tool? Can’t you just click-and-drag with the existing Draw Tool to insert them? If you draw a short bond distance, the bond order and hydrogen count will be appropriate.