Hi Tom,

 

Thanks a lot for the reply, my issue is solved now.

 

A pip install command would indeed be great! But for now the Command Prompt also works fine for me 😊.

 

Ilse

 

Van: Tom Goddard <goddard@sonic.net>
Verzonden: 11 June 2021 06:47
Aan: Lagerwaard, I.M. (Ilse) <i.m.lagerwaard@students.uu.nl>
CC: chimerax-users@cgl.ucsf.edu
Onderwerp: Re: [chimerax-users] using pandas

 

Hi Ilse,

 

On Windows I run a Command Prompt as administrator to have permission to modify  the installed ChimeraX and use

 

> cd C:\Program Files\ChimeraX-1.2.5\bin

> .\python.exe -m pip install pandas

 

And then I can use "import pandas" in the ChimeraX shell (menu Tools / General / Shell)  without errors.

 

Or in a Command Prompt that is not run as administrator I run

 

> cd C:\Program Files\ChimeraX-1.2.5\bin

> .\ChimeraX-console.exe -m pip install pandas --user

 

and again pandas installs fine and imports in ChimeraX.

 

Definitely we should add an easy way to do this in ChimeraX without the Command Prompt rigamarole, like a ChimeraX command "pip install pandas".  But we don't have that right now.  Sadly the Python pip package does not have an API to do installs using a function call -- really poor design.  But probably we can work around that.

 

   Tom

 



On Jun 9, 2021, at 10:27 AM, Tom Goddard <goddard@sonic.net> wrote:

 

Hi Ilse,

 

  ChimeraX distributions include Python so you just want to install pandas into the ChimeraX Python.   This involves running the ChimeraX Python and using pip install. Here is how I do that on Mac.  

 

$ ~/Desktop/ChimeraX.app/Contents/bin/python3.8 -m pip install pandas

 

On Windows or Linux it would be similar.  We should have a ChimeraX command to install PyPi packages but don't have that yet.

 

                Tom

 

 

On Jun 9, 2021, at 3:09 AM, Lagerwaard, I.M. (Ilse) via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

 

Hello everyone,

 

Is it possible to use the pandas package in ChimeraX? I tried opening a Python script containing the line ‘import pandas’, but I get the error: ‘ModuleNotFoundError: No module named 'pandas'’.

 

Kind regards,

Ilse

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