VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Nov 22 2018 - 19:45:55 CST

More precisely, see the comment about "non-official" packages in Linux
distributions, in addition to Robin's recipe. Python 2.7 is not a problem
for either method.

Regarding python3, I am afraid that the API bindings used by VMD are
incompatible with the version 3.

Giacomo

On Thu, Nov 22, 2018 at 8:25 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> 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
> 

-- 
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