Hi everyone,
I am trying to use the conformer search option in openbabel in python.
When I use it in terminal with the following command, it works fine and I
get all the conformers in an output file:
obabel -i xyz inputfile.xyz -o xyz -O outputfile.out --conformer --nconf 100
--weighted
Thank you so much David for the hint.
Now I checked the path of python3 by "which python3" and it gave me the path
"/Library/Frameworks/Python.framework/Versions/3.5/bin/python3"
Then I changed the command to:
*cmake ../
Hi David,
Can you please suggest me a solution? I am trying it for the last two weeks
but could not find a solution. I even posted a thread at this forum but
could not solve the problem.
Now as your directions, I downloaded the openbabel from git:
https://github.com/openbabel/openbabel
And then
Hi,
Thanks for the reply. I am using cmake v.3.7.2 on macOS Sierra.
This issue is only with python 3. It compiles fine with default python2.7.
I want to bind it with python3.
Is there any way that I install it for python 2.7 and then edit some
environment variable or something to change its
I am using Python for making a script to work with some chemical structures
in my PhD. I want to install openbabel libraries for python. I tried my best
but I could not install it on Windows. I posted a question earlier about
installing it on Windows at
