Table 1 - Molecular Visualization Tools

 

Software

Source

Features

Usage

ChemSketch

Freeware from ACD Laboratories

2D chemical structure drawing program with a large template collection of pre-built molecules

 

Can export mol files for Chime/RasMol

Faculty and students

 

Can copy/paste structures (or save as gif) into Word, PowerPoint, or html documents

Chime/RasMol

Both freeware -

 

Chime from MDL

 

RasMol from Bernstein Plus Sons

3D molecular rendering software with interactive multiple display modes and measurement capabilities

(Chime operates as a browser software plug-in, RasMol is a stand alone application, 470 kB)

Faculty and students

 

Can produce interactive web pages using Chime displays

 

Animations of molecular motion and reaction mechanisms displayed with Chime

Spartan

Wavefunction Inc.

(expensive)

 

Faculty - full version

 

Students - Student Edition available in computer labs

Molecular builder and research-level computational software

 

Can export files for Chime/RasMol

Faculty and students

 

Build and minimize energy of molecules

 

Generate data for analysis

 

Can produce avi file movies of animations

Odyssey

Wavefunction Inc.

(reasonable?)

 

Instructor's version

Molecular dynamics software - a systems approach to molecular motion and interactions

Faculty as demonstrations in class