On 03/04/14 04:45, Oliver Clarke wrote:
Hi all,
Is the functionality of ‘Calculate-->Merge Molecules’ available from the
scripting interface?
Yes.
I couldn’t find it in the manual. There is a function named merge_molecules,
but I don’t know what arguments it takes and it does not do what I would expect
- I’d like it to take two mol_ids and merge the second one with the first, but
that does not seem to be the case.
Recall that you can merge many molecules with a "first" molecule, then
you're golden.
merge_molecules(imol_ref, [imol_daughter])
Although not written in python, I believe that the documentation hints
that the second argument is a list of molecule numbers.
I’d like this function so I can write a little shortcut that will allow me to
click on two fragments and join them, rather than having to scroll through the
list of mol_ids of various newly placed helices etc.
I guess I could use replace_fragment if I add a dummy atom to the first
molecule and then replace it with the second -
Yikes! :-)
HTH,
Paul.
