> 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 could not find qeq"?
This is on my MacBook (running 10.10.x):
[ghutchis@Alumina] mol2: obabel -L charges
eem Assign Electronegativity Equilization Method (EEM) atomic partial charges
eqeq Assign EQEq (charge equilibration) partial charges.
gasteiger Assign Gasteiger-Marsili sigma partial charges
mmff94 Assign MMFF94 partial charges
none Clear all partial charges
qeq Assign QEq (charge equilibration) partial charges (Rappe and Goddard,
1991)
qtpie Assign QTPIE (charge transfer, polarization and equilibration) partial
charges (Chen and Martinez, 2007)
Cheers,
-Geoff
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