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 <guoy...@asu.edu> wrote:
>
> 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 system and it works for him. I am
> wondering that could you please show me a way to implement qeq partial charge
> on my Macbook.
>
> Thanks,
>
>
> --
> Guoyi Li
> Graduate Research Associate
> Email: guoy...@asu.edu <mailto:guoy...@asu.edu>
> School for Engineering of Matter, Transport and Energy
> Adaptive Intelligent Materials & Systems (AIMS) Center
> http://aims.engineering.asu.edu/ <http://aims.engineering.asu.edu/>
> Arizona State University
> P.O. Box 876106
> Tempe, AZ 85287-6106
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