cdkFormula-class

show,cdkFormula-method

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

classes

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. 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.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

cdkFormula-class function

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

Objects from the Class

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

Class cdkFormula, a class for handling molecular formula

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

Description

Arguments

Objects from the Class

References

See Also