get.isotopes.pattern

formula

Minimal abundance of the isotopes to be added in the combinatorial search.

minAbund

This function get the isotope pattern given a <code>cdkFormula</code> object.
	It modifies as the <code>IMolecularFormula</code> Java object as the 
	its mass.

programming

This package allows the user to access functionality in
        the CDK, a Java framework for cheminformatics. This allows the
        user to load molecules, evaluate fingerprints, calculate
        molecular descriptors and so on.  In addition the CDK API
        allows the user to view structures in 2D.

get.isotopes.pattern: Generate the isotope pattern.

Description

Usage

Arguments

Value

References

See Also