VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Nov 22 2018 - 19:25:45 CST

Hello Guilherme, to use a Python version that is not ancient you need to
build your own VMD, instead of using a pre-compiled build. This will also
require manually editing the configure script, which has 2.5 hard-coded.

See also:
https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/28714.html

On Thu, Nov 22, 2018 at 2:53 PM Guilherme da Silva <gcarneiroq_at_gmail.com>
wrote:

> Dear users,
>
> Have anyone tried to use the python3 interpreter inside VMD? I was hoping
> to use the numpy I have installed with Anaconda in order to do some
> trajectory post-process.
>
> I naively tried to play with PYTHONHOME and PYTHONPATH variables. The
> gopython really recognizes the anaconda path, but keeps loading an
> intrinsic 2.5 python version.
>
> If nothing else, the only way to use numpy is to install an python2.5 in
> order to install an appropriated version of numpy? I can mention the
> https://github.com/Eigenstate/vmd-python alternative, but I was really
> hoping some way to load the python3 or python2.7 libraries in the vmd
> interpreter.
>
> Thank you very much,
>
> Guilherme
> 

-- 
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