read_sdf: Read SDF File

View source: R/read_sdf.R

read_sdfR Documentation

Read SDF File

Description

Reads an SDF file and extracts the 3D molecule model

Usage

read_sdf(filename)

Arguments

filename

Filename to the sdf file.

Value

List giving the atom locations and the connections between atoms.

Examples

#This assumes a hypothetical SDF file in your working directory:
if(file.exists("molecule.sdf")) {
  read_pdb("molecule.sdf") %>%
    generate_full_scene() %>%
    render_model()
}

raymolecule documentation built on March 22, 2022, 1:06 a.m.