get.volume: Compute volume of a molecule

View source: R/desc.R

get.volumeR Documentation

Compute volume of a molecule

Description

This method does not require 3D coordinates. As a result its an approximation

Usage

get.volume(molecule)

Arguments

molecule

A molecule object

Value

A double value representing the volume

Author(s)

Rajarshi Guha (rajarshi.guha@gmail.com)


rcdk documentation built on Sept. 26, 2022, 5:09 p.m.