C4
Molecular Modeling Links

Free Molecular Modeling Software

RasMol

Chime is based on a molecular modeling program called RasMol written by Roger Sayle. Rasmol is driven by a relatively simple but powerful scripting and command language. Chime has inherited many features from its parent program. Chime has many new features that Rasmol lacks, but Rasmol is available for more platforms - Unix and Linux in addition to Windows and MacOS. Like Chime, it is free. Download

Marco Molinari of UC Berkeley has developed UCB-Rasmol which adds a graphical interface for model manipulation tools. UCB-Rasmol can also load up to five molecules at a time and move them independently. However, it does not work well with stereo or with most Rasmol scripts. Download

ChemOffice

This commercial molecular modeling package is available from CambridgeSoft Corporation. The free version is called CS ChemOffice Net. Although limited in functionality, this package includes viewers that can be used to view both 2D and 3D molecular structures. Download

How to Find Sites Using Chime

Chime Resources by Eric Martz

This is the premier site for anyone wanting to learn how to use Chime. In addition to maintaining this site and the Rasmol Home Page, Martz has developed several Chime-based biochemistry tutorials. Martz has also compiled the comprehensive World Index to Educational BioMolecular Structure Tutorials in Chime and Rasmol list. It is the most complete directory of biological Chime resources available.

MDLI Chime Demonstrations, Tutorials and Documentation

The developers of Chime, MDL Information Services, offer this excellent page featuring useful Chime documentation and several Chime demonstrations. There are also links to other Chime-based chemistry resources on the World Wide Web.

Bernstein + Sons

Bernstein + Sons have continued the development of Rasmol past version 2.6. They are currently working to integrate the UCB-Rasmol modifications into the main Rasmol source. This site is the primary source of information, documentation, source code and binaries for Rasmol 2.7 and beyond.

Others

Lessons using Chime in an organic chemistry course can be found at the Colby College Chemistry Department.

A course in Medical Biochemistry at the University of Kansas makes extensive use of Chime and molecular models in several tutorials available online.

Sources of Models

Chime can open several types of molecular model files. The two most common of these formats are PDB files, which have a suffix of .pdb, and MDL molfiles, which have a suffix of .mol. Already built PDB and molfiles can be found at many sites on the World Wide Web. Here are a few sites that we have found to be useful.

Protein Data Bank (PDB)

The Protein Data Bank contains over 10,000 NMR, crystallographic, and theoretical macromolecular structure files.

European Bioinformatics Institute

The European Bioinformatics Institute (EBI) site contains a large collection of crystal macromolecule structures.

CS ChemFinder

CambridgeSoft's Chemfinder has a great database of small organic and inorganic molecules, which offers structures, physical constants, and web links for each compound. Unfortunately structures are only available in the 2D CS ChemDraw format. Several commercial 3D modeling programs can convert these 2D files into PDB and molfiles, but we do not know of a free program that does this.

Klotho Biochemical Compounds Declarative Database

Klotho offers over 400 biological models in PDB format. It is one of the few relatively large sources of smaller PDB molecules that we have found on the web. Klotho is maintained by the Institute for Biomedical Computing at Washington University.

Other Chemistry Resources

Links for Chemists

Links for Chemists is a free, searchable chemistry index, containing almost five thousand chemistry resources in over 50 categories.

Got a link or resource to recommend? Please send it to haungar@cruzio.com


C4: Computers in Chemistry at Cabrillo College
Project Director: Harry Ungar
Cabrillo College / 6500 Soquel Dr. / Aptos, CA 95003

Last Updated: 8/15/00    Webmaster: slaton@aptamer.com