Visualization and End User Tools
From Chemical Informatics and Cyberinfrastructure Collaboratory
Contents |
Projects
Applet for visualizing tables of 2D structures and data
David Jiao and David Wild
Sample Smiles (space separated) file
Advanced visualization using similarity matrices
Chris Mueller and David Wild
Existing tools for client side visualization of chemical structures and data
Sample SD File for use with PowerMV
SAR Navigator (Commercial)
Resources for client-side interfaces involving chemical structures, etc
Marvin
Includes Marvin Applets for structure drawing and display (2D and 3D), Marvin Beans (classes for Java application development) and Marvin Sketch, View and Space (Java applications built using Marvinbeans for drawing and displaying 2D and 3D chemical structures.
For more information, see ChemAxon products page.
JMOL
An applet, application and tool kit for visualization and processing of 3D structures.
JChemPaint & CDK
JChemPaint provides applets and applications for editing and visualizing 2D chemical structures. JChemPaint is part of the CDK (Chemistry Development Kit).
JDK provides a robust Java API of utitility classes for ChemoInformatics and Computational chemistry, written in Java.
JDK doesn't come with very good user documentation. This example page by Rajarshi Guha at Penn State University is very helpful to get start with CDK.
JME
Java Molecular Editor. An applet for inputting 2D chemical structures. Requires permission from Peter Ertl at Novartis to use.
JME homepage Example of use of JME at Molinspiration
Chime
A free plug-in for displaying 2D and 3D chemical structures. Requires registration at MDL and installation on client machine.
Chemdraw Plugin
A free plug-in for displaying 2D chemical structures. Very nice depiction. Can get slow if lots of structures in one page. Requires installation on client machine.
