load.molecules {rcdk}R Documentation

Load Molecular Structure From Disk

Description

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

Usage

load.molecules(molfiles=NA)

Arguments

molfiles A character vector of filenames. Note that the full path to the files should be provided

Value

A list of CDK Molecule objects, which can be used in other rcdk functions

Author(s)

Rajarshi Guha (rguha@indiana.edu)

See Also

view.molecule.2d


[Package rcdk version 2.8.1 Index]