Thank you, Thomas!
Em seg., 9 de nov. de 2020 às 06:29, Thomas Holder <
thomas.hol...@schrodinger.com> escreveu:
> Hi Pedro,
>
> chempy.Atom doesn't store model and state. The only option I can think of
> right now is to use a custom property (Incentive PyMOL feature, won't work
> in Open-Source PyMOL):
>
> cmd.alter('all', 'p.model = model')
> print(cmd.get_model('all').atom[0].atom_properties['model'])
>
> Or maybe you can do the same thing with cmd.iterate_state, consider the
> following two approaches to the same problem:
>
> # using get_model
> for state in range(1, cmd.count_states() + 1):
> for at in cmd.get_model("all", state):
> print(at.coord)
> print(at.text_type)
> print(at.atom_properties['model'])
> print(state)
>
> # using iterate or iterate_state
> def callback(x, y, z, text_type, model, state):
> print((x, y, z))
> print(text_type)
> print(model)
> print(state)
> cmd.iterate_state(0, "all", "callback(x,y,z,text_type,model,state)",
> space={"callback": callback})
>
>
> Hope that helps.
>
> Cheers,
> Thomas
>
>
> > On Nov 6, 2020, at 6:29 PM, Pedro Lacerda <pslace...@gmail.com> wrote:
> >
> > Hi,
> >
> > I got an `chempy.Atom` instance via `cmd.get_model().atom`.
> >
> > How to get the state and object name.
> >
> >
> > Thank you!
> >
> > --
> > Pedro Sousa Lacerda
> >
> > Laboratório de Bioinformática e Modelagem Molecular / UFBA
> > Mestrando em Ciências Farmácias / UEFS
> >
> > @pslacerda
> > +55 71 9 9981-1856
> > http://lattes.cnpq.br/8338596525330907
> > _______________________________________________
> > PyMOL-users mailing list
> > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
> > Unsubscribe:
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>
> --
> Thomas Holder
> PyMOL Principal Developer
> Schrödinger, Inc.
>
>
--
Pedro Sousa Lacerda
Laboratório de Bioinformática e Modelagem Molecular / UFBA
Mestrando em Ciências Farmácias / UEFS
@pslacerda
+55 71 9 9981-1856
http://lattes.cnpq.br/8338596525330907
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