Hi Chi,
The file needs a .py extension to be recognized as a Python script. Microsoft
Windows can be tricky when it comes to changing a file extension. I recommend
to follow these steps when downloading a Python file from the PyMOLWiki:
1) Visit
Dear Thomas,
Many thanks! I copied and saved the script as a dot txt but can not run it from
file> run on pymol. Do I need yo save the file in a special folder? I am
actually really new with pymol and not vey good in scripting
Thanks for your understanding
Sincerely
Chi
Hi Celestine,
Did you run the "get_raw_distances.py" script first? You can do that by:
run
https://raw.githubusercontent.com/Pymol-Scripts/Pymol-script-repo/master/get_raw_distances.py
Or better: Download it to your computer and run it from there ("run" command or
"File > Run Script..." from
Hi Thomas,
I am also interesting in getting bond distances between two pairs of molecule.
I tried running the commands to suggested but I get an error message e.g
When I tried the following (see below) the fist command was well executed but
the second gave an error message “ SyntaxError: invalid
Hi Ahmad,
Unfortunately there is no proper API for this. But I can think of two
approaches. Note that the results can differ because the two method do slightly
different h-bond detection!
1) Use "cmd.find_pairs" with mode=1 on "donors" and "acceptors" selection.
Example:
sele1 = "chain A &
I know I can can find the hydrogen bond interactions between a
selection and surrounding residues within a certain radius. I would
like to find a way to retrieve the actual count of those interactions
per residue. How can I do it in the API?
Regards.
