Re: [Open Babel] Openbabel3 import error in python

2019-11-26 Thread Lijo John
Thanks for the message.
I had trouble in figuring out the correct PYTHONPATH for my machine.
Hence, after pointing the exact path in the .bashrc file, i was able to
access the openbabel from python command promt.

I set the python path as follows.

export PYTHONPATH=/usr/local/lib64/python2.7/site-packages/:$PYTHONPATH


On Thu, Nov 21, 2019 at 11:15 PM Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:

> > But, when i am trying to import openbabel within the python, it shows the
> > import error.
>
> I would guess that you either have multiple versions  of Python on your
> computer, or at least multiple versions of the Open Babel bindings. Have
> you installed previous versions of the OB bindings?
>
> If so, you'll want to remove those older files, usually in site-packages.
>
> -Geoff



-- 
Lijo John
Research Student
C/o Dr. G. Narahari Sastry
Centre for Molecular Modeling
CSIR - IICT, Hyderabad
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Re: [Open Babel] Openbabel3 import error in python

2019-11-21 Thread Geoffrey Hutchison
> But, when i am trying to import openbabel within the python, it shows the
> import error.

I would guess that you either have multiple versions  of Python on your 
computer, or at least multiple versions of the Open Babel bindings. Have you 
installed previous versions of the OB bindings?

If so, you'll want to remove those older files, usually in site-packages.

-Geoff

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Re: [Open Babel] Openbabel3 import error in python

2019-11-20 Thread LJ
Hello. 
I am facing problem with the "import error" within python while importing
the openbabel.
I have neatly installed the openbabel 3, in CentOS 7 by following all the
instructions as mentioned at   open-babel-install
  
But, when i am trying to import openbabel within the python, it shows the
import error.

>>> from openbabel import openbabel
Traceback (most recent call last):
  File "", line 1, in 
ImportError: No module named openbabel
 
I am unable to find any perfect solution on the web. Can anyone provide me
with some hints on how to solve this problem?





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