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
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
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
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
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".
