Thank you!
Em qui., 9 de jul. de 2020 às 18:40, Thomas Holder <
thomas.hol...@schrodinger.com> escreveu:
> @cmd.extend
> def count_molecules(selection="all", quiet=0):
> tmpsele = cmd.get_unused_name("_tmp")
> count = 0
> if cmd.select(tmpsele, selection):
> count += 1
>
@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
... 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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