Hi Pedro, *count_states* is correct here; there's only 1 state, which is state 1. The reason for the observed *count_atoms* behavior is that "polymer" and "state" are different operators in the selection algebra, so putting them together without a logical operator such as "and" or "or" between them indicates an implicit "or". So you're actually counting atoms which match "polymer" *or* "state X", which is why the number only goes up to 8627 when you count state 1.
This might clear up your scope question as well, but please indicate if otherwise. Best, Cole On Fri, Aug 9, 2019 at 10:55 AM Pedro Lacerda <pslace...@gmail.com> wrote: > I'm also puzzled by the scope of state: > > *PyMOL>count_atoms polymer state 1 within 5 of resn NAP* >> count_atoms: 8205 atoms >> >> *PyMOL>count_atoms polymer state 1 within 0 of resn NAP* >> count_atoms: 8109 atoms >> >> *PyMOL>count_atoms polymer (state 1) within 0 of resn NAP* >> count_atoms: 8109 atoms >> >> *PyMOL>count_atoms (polymer (state 1)) within 0 of resn NAP* >> count_atoms: 192 atoms >> >> *PyMOL>count_atoms (polymer (state 0)) within 0 of resn NAP* >> count_atoms: 0 atoms >> > > Em sex, 9 de ago de 2019 às 11:31, Pedro Lacerda <pslace...@gmail.com> > escreveu: > >> Hi, >> >> There is only one state but the atom counting changes between states 0, 1 >> and 2. >> >> >> What this means? >> >> *PyMOL>fetch 1e92* >>> >>> TITLE Pteridine reductase 1 from Leishmania major complexed with NADP+ >>> and dihydrobiopterin >>> ExecutiveLoad-Detail: Detected mmCIF >>> CmdLoad: loaded as "1e92". >>> >>> *PyMOL>count_atoms polymer state 0* >>> count_atoms: 7917 atoms >>> >>> *PyMOL>count_atoms polymer state 1* >>> count_atoms: 8627 atoms >>> >> *PyMOL>count_atoms polymer state 2* >>> count_atoms: 7917 atoms >>> >> *PyMOL>count_states * >>> cmd.count_states: 1 states. >>> >> >> -- >> Pedro Sousa Lacerda >> >> >> *Laboratório de Bioinformática e Modelagem Molecular* >> *Faculdade de Farmácia / UFBA* >> >> *@pslacerda* >> >> *+55 71 9 9981-1856* >> > > > -- > Pedro Sousa Lacerda > > > *Laboratório de Bioinformática e Modelagem Molecular* > *Faculdade de Farmácia / UFBA* > > *@pslacerda* > > *+55 71 9 9981-1856* > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
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