Hi Jose,
you can overload pymol.menu.pick_menu with your own function. The atom "index"
is the only true unique index (within the object, and it's not persistent when
removing or sorting atoms).
python
import pymol.menu
original_pick_menu = pymol.menu.pick_menu
def custom_pick_menu(cmd, sele1, sele2):
sele_ids = []
cmd.iterate(sele2, 'sele_ids[:] = [ID, index]', space=locals())
sele1 += ' ID:%d index:%d' % tuple(sele_ids)
return original_pick_menu(cmd, sele1, sele2)
pymol.menu.pick_menu = custom_pick_menu
python end
Hope that helps.
Cheers,
Thomas
On 13 Jul 2014, at 18:28, Jose Borreguero <[email protected]> wrote:
> Dear pymol users,
>
> When I click in an atom (mouse->selection mode->atoms) I get the
> /chain_name/residue_name/atom_name info string. Is there a way to output the
> atom serial or atom index?
> My molecule has atoms with duplicate names within the same residue, so the
> info string chain_name/residue_name/atom_name does not uniquely identify an
> atom. I need to see the atom index or atom serial.
>
> Thanks in advance for your help!
> -Jose
--
Thomas Holder
PyMOL Developer
Schrödinger, Inc.
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