Re: [PyMOL] Generating of Rg for every state in PyMOL

[Jarrett J. <jar...@sc...>]

Hi Jessica,

It seems in the gyradius psico script, by default it will calculate the
radius of gyration for the current state. You can provide a specific state
to this argument and generate the list yourself in a script.

```
from psico.querying import gyradius

from pymol import cmd

obj = "1nmr"
cmd.fetch(obj)

# for loop
for i in range(cmd.count_states(obj)):
    print(f"State {i+1}: {gyradius(obj, state=i+1)}")

# list comprehension
gy_list = [gyradius(obj, state=i+1) for i in range(cmd.count_states(obj))]
print(gy_list)
```

Hope that helps,
Jarrett J


On Thu, May 18, 2023 at 8:05 AM #JESSICA LIM JIAYING# via PyMOL-users <
pym...@li...> wrote:

> Hi all,
>
> I am having difficulty in trying to print out a list of the radius of
> gyration for all states in my PDB file. I have several files of 100 states
> each and would like to generate a list of the radius of gyration for every
> individual state. However, I have only been successful at using the command *gyradius
> *as part of the psico package in PyMOL but it only outputs a single
> value, and I would have to click manually to the next state and re-enter
> the command to get the next value. Hence, I would like to be able to obtain
> a list of values without having to click through 100 different states.
>
> Any advice or suggestions on how this can be done will be greatly
> appreciated, thank you!
>
> Kind regards,
> Jessica Lim
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-- 

*Jarrett Johnson* | Senior Developer, PyMOL