generate.2d.coordinates

<p>An <code>IAtomContainer</code> object that can be obtained
    by loading them from disk or drawing them in the editor.</p>

molecule

<p>This function will generate reasonable 2D coordinates based purely on
 connectivity information.</p>

programming

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

generate.2d.coordinates function

Generate 2D Coordinates from Connectivity Information — generate.2d.coordinates

Generate 2D Coordinates from Connectivity Information

generate.2d.coordinates: Generate 2D Coordinates from Connectivity Information

Description

Usage

Arguments

Value