cdkFormula-class

show,cdkFormula-method

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

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

Objects can be created using new constructor and filled with a specific 
 mass and window accuracy

Objects from the Class

Miguel Rojas-Cherto (<a href="/link/miguelrojasch%40yahoo.es?package=rcdk&version=3.8.1" data-mini-rdoc="rcdk::miguelrojasch@yahoo.es">miguelrojasch@yahoo.es</a>)

Author

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

Objects can be created using new constructor and filled with a specific 
 mass and window accuracy

Miguel Rojas-Cherto (<a href='mailto:miguelrojasch@yahoo.es'>miguelrojasch@yahoo.es</a>)

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

Description

Arguments

Objects from the Class

Author

References

See Also