eval.atomic.desc

A  reference to a CDK <code>IAtomContainer</code> object

molecule

The fully qualified class name of the descriptor
  to evaluate or a vector such names

which.desc

If TRUE, progress will be written to the screen,
  otherwise the function performs silently

verbose

The CDK implements a number of descriptors divided into three main
  groups - atomic, molecular and bond. This method evaluates the
  specified atomic  descriptor(s) for a molecule

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.

eval.atomic.desc: Evaluate an Atomic Descriptor

Description

Usage

Arguments

Value

See Also