view.molecule.table {rcdk} | R Documentation |
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
view.molecule.table(fnames, cnames, datatable)
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 |
Nothing
Rajarshi Guha (rguha@indiana.edu)