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get.title

Get the title of the molecule.


Description

Some molecules may not have a title (such as when parsing in a SMILES with not title).

Usage

get.title(mol)

Arguments

mol

The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'

Value

A character string with the title, 'NA' is no title is specified

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)

See Also


rcdk

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

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