Re: [Cdk-user] gasteiger partial charges

[E.L. W. <eg...@us...>]

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On Wednesday 20 October 2004 19:30, Rajarshi Guha wrote:
> Hi, does CDK implement the calculation of gasteiger partial charges
> anywhere?

No, not yet... it's something we desperately need... I've copied the articl=
e,=20
but never had time yet to implement it...

Egon

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