So missing boolean operators are filled with OR, for me this is should be a big and loud WARNING. I almost messed everything up because it almost passed in my tests.
Also I mistake states a couple of days on multi-model files because I was counting from ZERO but states starts on ONE. That was until I needed get_area, it properly stated that my states were nonexistant. So these were my personal thoughts and issues about. Have a nice weekend! Em sex, 9 de ago de 2019 12:41, Pedro Lacerda <pslace...@gmail.com> escreveu: > 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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