Re: [PyMOL] How to count the number of molecules in a selection?

[Thomas H. <tho...@sc...>]

@cmd.extend
def count_molecules(selection="all", quiet=0):
    tmpsele = cmd.get_unused_name("_tmp")
    count = 0
    if cmd.select(tmpsele, selection):
        count += 1
        while cmd.select(tmpsele, f'{tmpsele} &! bm. first {tmpsele}'):
            count += 1
    cmd.delete(tmpsele)
    if not int(quiet):
        print(f' Number of molecules: {count}')
    return count

Cheers,
  Thomas


> On Jul 9, 2020, at 9:52 PM, Pedro Lacerda <psl...@gm...> wrote:
> 
> ... via programming
> 
> -- 
> Pedro Sousa Lacerda
> 
> Laboratório de Bioinformática e Modelagem Molecular
> Faculdade de Farmácia / UEFS
> 
> @pslacerda
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.