load.molecules {rcdk} | R Documentation |
The CDK can read a variety of molecular structure formats. This function encapsulates the calls to the CDK API to load a structure given its filename
load.molecules(molfiles=NA)
molfiles |
A character vector of filenames. Note that the full
path to the files should be provided |
A list of CDK Molecule
objects, which can be used in other rcdk
functions
Rajarshi Guha (rguha@indiana.edu)