get.exact.mass

convert.implicit.to.explicit

A <code>jObjRef</code> representing an IAtomContainer or IMolecule object

molecule

Various functions to perform operations on molecules. 	<code>get.exact.mass</code> returns the exact mass of a molecule	<code>convert.implicit.explicit</code> converts implicit hydrogens
	to explicit hydrogens. This function does not return any value
	but rather modifies the molecule object passed to it

programming

Molecule

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.

Molecule: Operations on molecules

Description

Usage

Arguments

Value

See Also