view.molecule.table {rcdk}R Documentation

View Multiple 3D Structure and Associated Data

Description

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

Usage

view.molecule.table(fnames, cnames, datatable)

Arguments

fnames A character vector containing the fully qualified names of the structure files to view
cnames A character vector of column names. Note that the number of elements of this vector should be nrow(datatable)+1
datatable A data.frame or matrix of data to be displayed for each structure. The number of rows should be equal to the number of filenames specified in fnames

Value

Nothing

Author(s)

Rajarshi Guha (rguha@indiana.edu)

See Also

draw.molecule, load.molecules


[Package rcdk version 2.6.1 Index]