Sorry Blaine, I misspelled your name!
Cheers,
J.
сб, 7 нояб. 2020 г. в 16:18, Jeff Saxon :
>
> Hi Blame,
> I was talking about this pymol script (it can be downloaded directly
> from the page below)
> https://pymolwiki.org/index.php/Center_of_mass
>
> I used all of the post-processing steps in
Dear Pymol Users,
I am using the Centre of mass python script found in PymolWIKI with
the aim to calculate the centre of mass of the loaded ligand
structure. Could you tell me if it would be possible to apply this
script on the multi_model pdb loaded in pymol in the similar way and
to obtain XYZ
P.S. sorry I ought to further precise my question:
From what I have not I can execute pymol in batch mode together with
the py script and pdb
pymol my.pdb center_of_mass.py -d 'select all;com all' -c >> log.txt
which gives me log.txt contained COM for each model in the following format:
State
Hi Jeff,
You can use Python commands to reformat the output.
The Python commands can be included in your Python script or
with the pml code that you pass with the -d keyword in the terminal
if the Python code is separated by semicolons from the pml code.
My email security system mangled the
Hi Blame,
I was talking about this pymol script (it can be downloaded directly
from the page below)
https://pymolwiki.org/index.php/Center_of_mass
I used all of the post-processing steps in bash scripts using AWK. Now
I would like to understand how it may work inside this python script.
Here is
