Gustavus Computational Resources


 

Alanine dipeptide

 

9-fluorenol

excited and ground state overlayed

 

5¢-hydroxytryptamine

 

 

Computational Software

Gaussian 98

*Complete ab initio quantum chemical computational suite

*Gustavus Computational Server: Site License

*Gaussian Web Site

GAMESS

*Complete ab initio quantum chemical computational suite

*Gustavus Computational Server: No cost Site License

*GAMESS Web Site

WebMO

*Web based visualization and job control of computational software

*Gustavus WebMO Gaussian 98 and GAMESS Server

http://slater.chem.gac.edu/cgi-bin/webmo/login.cgi

*http://webmo.net/

HyperChem

*Hyperchem: 6 client license available on campus

*HyperCube Website

Chemscape Chime

*Web page embedded molecular models

*Chime

Protein Explorer

*Web based molecular models with analysis tools

*Protein Explorer Front Door

RasMol

*Molecular Visualization Freeware machine based

*RasMol

VMD

*Visual Molecular Dynamics

*http://www.ks.uiuc.edu/Research/vmd

gOpenMol

*Molecular Visualization software

*gOpenMol Site

 Protein Databank

* Worldwide repository for the processing and distribution of 3-D biological macromolecular structure data.

* The RCSB Protein Data Bank

 

 

 

Jonathan M. Smith

Department of Chemistry

Gustavus Adolphus College

July 2001