parse.smiles

smiles

This function parses a SMILES string to generate an
  <code>IAtomContainer</code> object. Note that the resultant molecule will
  not have any 2D or 3D coordinates.

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

parse.smiles: Parse a SMILES String

Description

Usage

Arguments

Value

See Also