view.molecule.table

A <code>character</code> vector containing the fully qualified
    names of the structure files to view

fnames

A <code>character</code> vector of column names. Note that the
    number of elements of this vector should be <code>nrow(datatable)+1</code>

cnames

A <code>data.frame</code> or <code>matrix</code> of data to be displayed for
    each structure. The number of rows should be equal to the number of
    filenames specified in <code>fnames</code>

datatable

This function allows you to view multiple structures in 3D alongwith 
associated data in a tabular format. Note that each molecule is represented
by a seperate instance of the Jmol view and so it can become resource
intensive for a large collection of molecules

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

view.molecule.table: View Multiple 3D Structure and Associated Data

Description

Usage

Arguments

Value

See Also