get_example_molecule: Get Example Molecule

In raymolecule: Parse and Render Molecular Structures in 3D

Get Example Molecule

Description

Loads the structure of the built-in molecules. All SDF files obtained from Pubchem. txt extension only included to pass R CHECK.

Usage

get_example_molecule(molecule)

Arguments

molecule

One of the built-in SDF files. These are "benzene", "buckyball", "caffeine", "capsaicin", "cinnemaldehyde", "geraniol", "luciferin", "morphine", "penicillin", "pfoa", "skatole", "tubocurarine_chloride".

Value

List giving the atom locations and the connections between atoms.

Examples

get_example_molecule("benzene")
get_example_molecule("cinnemaldehyde")
get_example_molecule("geraniol")

raymolecule documentation built on May 29, 2024, 1:13 a.m.