Ok, here it is, it works. I have made simple new key binding, defined
for Shift+W. Add this to your key_binding file:
def swap_water():
delete_atom(*active_residue())
undo_symmetry_view()
place_typed_atom_at_pointer("Water")
add_key_binding("Swap symmetry water", "W", lambda: swap_water())
Now when you want to "swap the water" to symmetry related position, just
center on it with your middle-mouse button and tap Shift+W.
Enjoy
Jan
On 11/01/2012 05:16 PM, hari jayaram wrote:
Hi,
I tried Extensions-Modelling-Arrange waters around protein ( my
spacegroup is C2) ..but some waters are not re-assigned to what I
would consider my parent molecule.
I know this is not trivial since these waters are very close to the
symmetry axis and it is hard to make the call as to which molecule
they should be part of..but one of the symmetry related positions is
more useful since it puts the water closer to the active site.
Is there a function that swaps a water or any atom with its symmetry
mate. Something like "symmetry-swap-water" that I can then click the
water and it switches the molecule with its symmetry related one--and
deletes the symm related one.
Or is there a way to click on a symmetry water and append it to a new
object so that I can merge them into the parent molecule.
I know I am being lazy..but I wont be surprised if this is lurking
somewhere inside coot
Thanks
Hari
