I knew that I was missing something obvious. Thanks Paul. Although as it turns
out, in Python the arguments are switched around (the first one is a list and
the second one is imol_ref).
Thanks!
Then, for the record, the function that I wanted to write goes something like
this:
def merge_fragments():
def merge_2_fragments(res1,res2):
mol_daughter=[res2[1]]
mol_ref=res1[1]
merge_molecules(mol_daughter,mol_ref)
user_defined_click(2,merge_2_fragments)
add_simple_coot_menu_menuitem(menu, "Merge two fragments (click two
fragments)", lambda func: merge_fragments())
Oliver.
On Apr 3, 2014, at 5:04 AM, Paul Emsley <[email protected]> wrote:
> 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.
>
