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Feature/calculate major isotope mass #58

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merged 1 commit into from Aug 30, 2017

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egonw
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@egonw egonw commented Aug 29, 2017

Allowing:

> cdk.calculateMajorIsotopeMass(cdk.fromSMILES("CCOO"))
62.036779

@egonw egonw requested a review from goglepox August 29, 2017 17:24
@egonw egonw changed the base branch from master to develop August 29, 2017 18:01
@goglepox goglepox merged commit 7ebdc4a into bioclipse:develop Aug 30, 2017
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