Question answered. Best regards!
Em sex, 9 de ago de 2019 às 12:33, Christian "Cole" French < christian.fre...@schrodinger.com> escreveu: > 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 > > -- Pedro Sousa Lacerda *Laboratório de Bioinformática e Modelagem Molecular* *Faculdade de Farmácia / UFBA* *@pslacerda* *+55 71 9 9981-1856*
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