Dear ChimeraX team,

 

I have some python scripts for performing computation using chimeraX in the nogui mode.

Those scripts rely on packages not available in the python environment of chimeraX and I installed them using:

ChimeraX-console.exe -m pip install add_package --user

I intend to distribute my scripts to other users and they will also need to install these packages.

As such, I have written another python script to automate the installation of these packages (the path to ChimeraX-console.exe (if Windows) or ChimeraX.exe (if Mac) must be supplied in a text file for this to work). The heart of the automation script is as follows:

 

for item in list_packages:

    subprocess.call([path_chimeraX, '-m', 'pip', 'install', item, '--user'])

 

Is this approach of installing python modules in chimeraX valid, considering that different users may have a different environment for their chimeraX? (I am worried that pip install might not work on some setups.)

 

Regards,

Shubham Ramgoolam

 

 

 

 

 

Sent from Mail for Windows

 

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