: Re: [PyMOL] Python script with iterate_state and selection command
Hi Stéphane,
Pedro is correct, you should change the selection like he suggested.
You also need to:
- Make a state specific selection with cmd.select(..., state=i)
- Adjust the loop to start at 1 and not at 0
- Use
> Stéphane Abel, Ph.D.
> CEA Centre de Saclay
> DRF/JOLIOT/I2BC-S/SB2SM/LBMS
> Bat 528, Office 138C
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> Phone (portable) : +33 6 49 37 70 60
> ________
> De : Pedro Lacerda [psl
60
De : Pedro Lacerda [pslace...@gmail.com]
Envoyé : lundi 22 juin 2020 16:26
À : ABEL Stephane
Cc : pymol-users
Objet : Re: [PyMOL] Python script with iterate_state and selection command
Hi,
Not sure if I understood your code but maybe you want change
Hi,
Not sure if I understood your code but maybe you want change Myselection to:
Myselection="resname SOL within 3.5 of resname CHO"
-- Pedro Lacerda
Em seg, 22 de jun de 2020 10:44, ABEL Stephane
escreveu:
> Hello all,
>
> I would like to write a basic python script to select residues for ea
Hello all,
I would like to write a basic python script to select residues for each state
using the iterate_state and output the results first in pymol console window
with the following format
frame 1 : resid ...
frame 2 : resid ...
...
### my script ##
from pymol import cmd, stored
mytra
