Hi,

I'm writing a gamess wrapper for python using openbabel, and
I have a problem for getting a Dipole Moment.

code snipet is bellow, my gamess output is
http://www.kzfmix.com/pub/dimethylamine.out

and my openbabel version is 2.3 (Mac OS 10.5, python2.7.1)

------------------------------------------------
import openbabel as ob
obc = ob.OBConversion()
obc.SetInFormat("gamout")

mol = ob.OBMol()
obc.ReadFile(mol, "dimethylamine.out")

dp = mol.GetData('Dipole Moment')

print dp.GetAttribute(), dp.GetValue()
-------------------------------------------------

>From API doc, OBVectorData has a GetData method, but
dp object seems not have such method.

anything wrong?

Help will be really appreciate. Thank you.

kzfm

---
pygamess: https://github.com/kzfm/pygamess

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