Hi Seth, I think if you place your first water using the "place atom at this position" button on the right side, then select your PDB file - all subsequent invocations of the "w" key will add waters to your PDB of interest instead of putting them in a separate PDB. Sincerely, Scott
> On Jan 9, 2014, at 18:30, Seth Harris <[email protected]> wrote: > > Hi all & Paul, > > Sometime back I found or was taught or given this: > > (add-key-binding "Add Water" "w" (lambda () (place-typed-atom-at-pointer > "Water"))) > > (Probably from "Pauls-key-bindings-for-coot"...) > > I was looking for a quick way while browsing map peaks to add waters that the > 'find waters' algorithms had overlooked for one reason or another. > > It fell into disuse, however, as I'd end up with all these waters in the > "Pointer Atoms" object, and it would be a chore to reunite them with the > primary pdb in question, accounting for numbering differences of already > existing waters. > > I'd much rather replicate what the "Place atom at pointer..." + icon dialogue > does, where you tell it which molecule you want to add to and it takes care > of the numbering appropriately. > > So, is it simple to do this on key binding where function would be "put water > at pointer but add it to mol 0 with appropriate incremental residue > numbering"? > > (I tend to fire coot up from scripts, so can guarantee that mol number 0 is > the one I want to use...) > > Thanks for any tips/guidance (or flat out working answer!) or suggestions I > go read the scheme scripting manual... > > Seth > > > >
