Please don't e-mail me directly. I'm sure others could answer your question on
the mailing list - it's why it exists.
I don't know what you mean by linux version. Do you mean you compiled from
source code?
Also, I don't know what you mean by openbabel didn't work since presumably if
you were
As far as I know, the current ibabel (
http://www.macinchem.org/ibabel/ibabel3.php
http://www.macinchem.org/ibabel/ibabel3.php ) requires that you install
openbabel first. Have you checked that the command line openbabel has the qeq
charges?
-David
On Jul 3, 2015, at 1:34 AM, Guoyi Li
Hi,
I installed the recommend 'ilabel' on my OSX system. I would like to use
openbabel to generate the partial charge of my molecules. I could use the
mmff partial charge method. But I still need to use qeq method. But it
shows system could not find qeq.
My workmate uses openbabel on his windows
I would like to use openbabel to generate the partial charge of my
molecules. I could use the mmff partial charge method. But I still need to
use qeq method. But it shows system could not find qeq.
What version of Open Babel did you install? Can you give more specifics on
shows system
