is.neutral

charge

<p>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</p>

<p>The test checks whether all atoms in the molecule have a formal charge of 0.</p>

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

rcdk

is.neutral: Tests whether the molecule is neutral.

Description

Usage

Arguments

Value