VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Jul 11 2017 - 18:46:00 CDT

Thanks for the really useful blog entry by Robin Betz. Following that you
can find this little gem:

https://github.com/Eigenstate/vmd-python

Only the Anaconda version worked for me, but it looks like the PyPI could
be fixed easily.

Giacomo

On Tue, Jul 11, 2017 at 1:50 PM, Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>
wrote:

> Hi Pallab,
>
> Yeah... The precompiled versions are useless for their python support
> nowadays, and if you are really keen you should just compile VMD yourself.
> On Linux, the easiest to read instructions for compiling VMD from source
> were made by Robin Betz: http://robinbetz.com/blog/
> 2015/01/08/compiling-vmd-with-python-support/. Debian packages also exist
> (just ask!), but are not tested on a wide number of configurations.
>
> -Josh
>
> On 07/11/2017 07:36 AM, Giacomo Fiorin wrote:
> Please read the error message:
>
> Could not find platform independent libraries <prefix>
> Could not find platform dependent libraries <exec_prefix>
> Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>]
>
> and the relevant section of the VMD user's guide:
>
> Pre-compiled VMD binaries currently use Python version 2.5. The current
> VMD source code has been tested to compile with Python versions 2.4 to 2.6
> on a few platforms. User contributed VMD rpm or deb packages can be thus be
> compiled against any of those versions.
>
> Giacomo
>
> On Tue, Jul 11, 2017 at 1:45 AM, Pallab Dutta <pilepilu_at_gmail.com<mailto:
> pilepilu_at_gmail.com>> wrote:
> Dear VMD experts,
>
> I was going to use vmd-1.9.3 with python, in linux. But it couldn't import
> any python module and showing the following error --
> ------------------------------------------------------------
> ------------------------------------------------------------
> --------------------
> vmd > gopython
> Info) Starting Python...
> 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 "<string>", line 1, in <module>
> File "/usr/local/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
> >>>
> ------------------------------------------------------------
> ------------------------------------------------------------
> -------------------
> Please help me to fix this problem.
>
>
> Pallab Dutta
> student, IISER-kolkata
>
>
>
> --
> Giacomo Fiorin
> Associate Professor of Research, Temple University, Philadelphia, PA
> Contractor, National Institutes of Health, Bethesda, MD
> http://goo.gl/Q3TBQU.
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>
> 

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin