@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 <pslace...@gmail.com> wrote:
>
> ... via programming
>
> --
> Pedro Sousa Lacerda
>
> Laboratório de Bioinformática e Modelagem Molecular
> Faculdade de Farmácia / UEFS
>
> @pslacerda
> +55 71 9 9981-1856
> http://lattes.cnpq.br/8338596525330907
> _______________________________________________
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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