cdkFormula-class

show,cdkFormula-method

This class handles molecular formulae. It provides extra information
  such as the <code>IMolecularFormula</code> Java object, elements contained and
  number of them.

classes

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.

Rajarshi Guha

rcdk

rcdk - Interface to the CDK Libraries

cdkFormula-class function

Objects can be created using <code>new</code>
  constructor and filled with a specific mass and window accuracy.

cdkFormula-class: Class cdkFormula, a class for handling molecular formula

Description

Arguments

Objects from the Class

References

See Also