get.desc.engine

A character argument indicating the type of descriptors to
    consider. Possible values are: bond, atomic, molecular

type

The CDK <code>DescriptorEngine</code> class allows automated calculation of
  all available descriptors of a specified type. Note that this may not
  be a good idea under R since certain descriptors may throw exceptions
  which cannot be easily caught in rJava. However it is possible to
  obtaina a variety of information from this object such as the class
  names of the available descriptors, instances of these descriptors and
  so on.

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. The package
 can also use JChemPaint, to draw 2D structure and use them within R and Jmol to
 view structures in 3D

get.desc.engine: Get the Descriptor Engine

Description

Usage

Arguments

Value

See Also