VMD-L Mailing List

From: Caio S. Souza (caiobiounb_at_gmail.com)
Date: Mon Nov 26 2012 - 07:15:14 CST

Hi,
If you are using a linux 64bits distribution, you can download the
python lib for VMD 1.8.7
(http://www.ks.uiuc.edu/Research/vmd/plugins/pythonlib/). Just unpack
the library and make the PYTHONHOME environment variable point to the
folder you created.
Remember that VMD binaries were compiled with Python 2.5. If you need,
I have compiled it with Python 2.7.3.

Good luck 

-- 
Caio S. Souza
Laboratório de Biofísica Teórica e Computacional
Universidade de Brasília
2012/11/26 Albert <mailmd2011_at_gmail.com>:
> hello:
>
> I am trying to run a python script by command:
>
> vmd npt.pdb md.xtc -python -dispdev text -e count_water.py
>
> but it said:
>
>
> Could not find platform independent libraries <prefix>
> Could not find platform dependent libraries <exec_prefix>
> Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>]
> 'import site' failed; use -v for traceback
> Traceback (most recent call last):
>   File "<string>", line 1, in <module>
> ValueError: vmdnumpy module not available.
> Info) Text interpreter now Python
> Traceback (most recent call last):
>   File "VMD", line 12, in <module>
> NameError: name 'AtomSel' is not defined
> Traceback (most recent call last):
>   File "<string>", line 1, in <module>
>   File "/soft/vmd-1.9.1/lib/vmd/scripts/python/Tkinter.py", line 59, in
> <module>
>     import _tkinter # If this fails your Python may not be configured for Tk
> ImportError: No module named _tkinter
>
>
> I checked that I've already installed both numpy and tkinter in my Linux OS.
>
> thank you very much
> Albert