On 9/16/24 12:39 PM, Nav wrote:
I'm using COOT 0.9.8 and writing a Python script to perform an analysis.
I want to write the final results into an output file.
(results are some distances and residue name and numbers in text format)

sounds interesting.

I have not put much thought into scripting Coot 0.9.x for quite a some time now.

The new mechanism for scripting Coot functions is libcootapi and the python version of that called chapi (coot-headless-api)

https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/docs/api/html/



Is there an in-built function in COOT that I can use to obtain the output file 
name and location from the user in my Python script?
This could be through a dialog box or by accessing the data stored in 
environment variables.

I think that you are suggesting writing a gui extension to do this - you can do that or course using PyGTK - there are lots of useful examples and functions in coot_gui.py.

It should needs only a handful of lines of code ... 10 or so, I imagine.

 If you want to use environment variables, then you'd use os.getenv() - but that is python, not Coot.

Paul.


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