Hi,
Thank you for your effort.
This would be the very best option? Thinking the use case that users need
all the states would be a lot harder.
I would rather let state 0 refer to all the states like now, but upper
nonexistent states give an error. This would remove some errors by 1, and
would wo
> On Aug 12, 2019, at 2:56 PM, Christian Cole French
> wrote:
>
> Maybe the nonexistent state warning is something that should be implemented
> elsewhere as well.
Selecting state 0 is now an error:
https://github.com/schrodinger/pymol-open-source/commit/c09ce287d447e6c703e57d31ae3e5d53f8359e
Thanks for the info. I also didn't realize that states started at 1. Maybe
the nonexistent state warning is something that should be implemented
elsewhere as well.
As for the implicit *or*, you can find it in
https://pymolwiki.org/index.php/Selection_Algebra#Selection_Operator/Modifier_Table
under
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 unti
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 the
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"
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 at
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".
>
