get.volume

molecule

<p>This method does not require 3D coordinates. As a result its an 
approximation</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

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.volume function

Compute volume of a molecule — get.volume

Compute volume of a molecule

get.volume: Compute volume of a molecule

Description

Usage

Arguments

Value