view.molecule.2d: view.molecule.2d

In rcdk: Interface to the 'CDK' Libraries

Description

Create a 2D depiction of a molecule. If there are more than one molecules supplied, return a grid woth ncol columns,.

Usage

view.molecule.2d(
  molecule,
  ncol = 4,
  width = 200,
  height = 200,
  depictor = NULL
)

Arguments

molecule	The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
ncol	Default 4
width	Default 200
height	Default 200
depictor	Default NULL

rcdk documentation built on March 13, 2020, 1:30 a.m.