rcdk: view.molecule.2d – R documentation

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view.molecule.2d

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

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

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

Interface to the 'CDK' Libraries

v3.5.0

LGPL

Authors

Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb]

Initial release

2020-03-06