Karteek,
You could have found your answer by searching for "Gasteiger"
at forums.openbabel.org. As it happened, there was a recent
posting titled "mol2 generation partial charges model" just last
week.
In short, simply convert your molecule into mol2 format:
obabel input.sdf -O output.mol2
Ling
>________________________________
> From: karthik kumar <karthik3...@gmail.com>
>To: openbabel-disc...@lists.sf.net
>Sent: Monday, September 23, 2013 11:28 PM
>Subject: [Open Babel] Gasteiger partial charges
>
>
>
>Dear users,
>
>
>
>
>I am a novice to this package.
>
>
>I am interested to calculate the gasteiger partial charges for my system. Can
>anyone give me an example reg. this.
>
>
>Can anyone help me in determining the charges.
>
>
>
>
>Thanks in advance
>
>
>Karteek Kumar
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