Re: [Cdk-devel] formula code

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Hi,

On Wed, 2010-10-13 at 12:38 -0400, Rajarshi Guha wrote:
> Though, is this a common/useful operation? What type of scenarios
> would you use this in?
That might be interesting if you have any modification,
where you are not sure how that modification IMolecularFormula
is added/linked/bound to the IAtomContainer.

One could think about neutral losses or other cased 
where you learn about the modification through 
e.g. mass spectrometry, where only the elemental composition 
can be calculated.

Miguel, did I get that correct ?

Yours,
Steffen

-- 
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