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
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