ond list for a series of files
> (Mooers, Blaine H.M. (HSC))
> 2. Re: hydrogen bond list for a series of files (Chen, Qiang)
>
>
> --
>
> Message: 1
> Date: Tue, 16 Jun 2020 14:51:38 +
> Fr
CZU1zDR_TU%26e%3D=02%7C01%7Cqic8%40pitt.edu%7C4ec7afdbd857446afad308d812081e49%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C637279173371398312=MNwexB0N5N91cfjWjfFxuJUG6UwzjwxfRQdclayPPQQ%3D=0%3E
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Message: 2
Date: Tue, 16 Jun 2020 15:15:11 +
From: "Chen, Qi
Great, thanks!
Really appreciate your help!
Charles
From: Mooers, Blaine H.M. (HSC)
Sent: Tuesday, June 16, 2020 10:51 AM
To: Chen, Qiang ; pymol-users@lists.sourceforge.net
Subject: RE: hydrogen bond list for a series of files
Hi Charlie,
This will give the
Hi, Blaine,
Then the question becomes how to generate a list with 30 or 300 numbers.
Will this work?
file_list=list(range(00, 30))
Thanks!
Charles
From: Mooers, Blaine H.M. (HSC)
Sent: Tuesday, June 16, 2020 9:57 AM
To: Chen, Qiang ;
Hi Charles,
You are right and I am wrong about the files needing to be loaded.
The object name has the pesky pdb file extension stripped off, so lets use the
object name instead of using Python to strip it off for us.
We no longer need to use glob.
We do need to the create a list of strings
Thanks, Dr. Mooers.
I modified a little.
It seems the pdb files need be loaded.
I put all the following lines in a file multifile_hb.pml
run
C:\Users\user\AppData\Local\Programs\Python\Python38\lib\site-packages\pymol\pymol_path\Pymol-script-repo\list_hb.py
import glob
load
Hi Charles,
Make sure that PyMOL's present working directory is where the pdb files are
stored.
Copy and paste each of the four lines below one at a time on the command line
in PyMOL.
run list_hb.py
import glob
chains = [('A','B'), ('A','C'), ('A','D'), ('A','E'), ('B','C'), ('B','D'),
