The resources are divided into:
The Australian Chemistry Network list of Chemistry Resources on the Web
Joey Santos' WebChemistry Index
Beilstein Information Systems
The Free University, Berlin Chemistry Index (very comprehensive)
The Yahoo Chemistry Index
Rolf Claessen's Chemistry list
Soaring Bear's science internet resources
World Wide Web Virtual Library: Biosciences
World Wide Web Virtual Library: Chemistry
BetaCyte List of Chemistry Journals
World Wide Web Virtual Library: Crystallography
The SDSU Chemistry Information Reference
The database of chemistry databases
Silicon Graphics' Chemistry and Biological Sciences resources
Virginia Tech's Chemistry Information on the Internet
WebElements - The periodic table via WWW
MIME types for Chemistry
Network Science - an electronic journal for those in the chemical, pharmaceutical and biotechnology industries
A guide to implementing Chemical MIME
YARLYet An other Resource List
VisChemVisualising the molecular world
Teaching guide X-ray diffraction
MultiCHEM
CAOS/CAMM Center, Computational Chemistry and Biochemistry Tutorials
ChemEd - part of the SciEd Science and Mathematics Education Resources
Chemistry Teaching Resources on the Internet
The CCQC Book of Knowledge
The ChemPrime Project
Computational Chemistry for Chemistry Educators
Global Instructional Chemistry
Hartree-Fock theory notes
Instructional Software for Chemistry - Educational resources for computer-aided chemistry teaching
The Journal of Chemical Education
Mike Colvin's Quantum Chemistry Class
Martindale's: Chemistry THE "VIRTUAL" - CHEMISTRY CENTER
Molecular Monte Carlo
NCSA Computational Chemistry Software Packages
The NSCS on-line Computational Chemistry for Chemistry Educators course
The Principles of Protein Structure course
The Silicon Graphics Teaching Laboratory
Uniserve - education conference listings
1996 Chemistry Education Conference; New Initiatives in Chemical Education.
ACS Division of Physical Chemistry
Richard Bader's Theory of Atoms and Molecules.
Biocomputing and Molecular Modelling at the University of Zurich
David Sherill's Brief Review of Elementary Quantum Chemistry
The CCL Computational Chemistry Mailing List
The CCL Computational Chemistry Archives
The CCL Computational Chemistry related sites list
CML Chemical Markup Language
Computational chemistry at CSC (Finland)
The EMSL Gaussian Basis Set order form
Computational Chemistry at Sandia National Laboratories
Sandia's on-line Gaussian 92 water calculations
Ab initio Water Calculation - do-it-yourself quantum chemistry across the web using object oriented code!
Mike Colvin's on-line ab initio quantum chemistry laboratory
NCSA Computational Chemistry Group
QCPE Quantum Chemistry Program Exchange
"Relativistic Theory of Atoms and Molecules I-II" database
Reviews in Computational Chemistry
Richard Rothwell's home page - molecular and molecular orbital graphics
David Young's selected Topics in Computational Chemistry
The UK Computational Chemistry Working Party
The University of Georgia's Center for Computational Quantum Chemistry
World Association of Theoretical Organic Chemists (WATOC)
Mathematical Challenges from Theoretical/Computational Chemistry
Practical Exercises in Quantum Chemistry at ETH Zürich
Quantum Theory Project; An Institute for Theory and Computation in Molecular and Material Sciences.
Standardization of computational chemistry software
The Brookhaven Protein Data Bank
The Cambridge Crystallographic Data Centre
The Chemist's Art Gallery
Computational Biochemistry Research Group in Zurich Programs include AllAll (phylogenic trees), MultAlign etc
Concepts in Science through Molecular Modelling
EMBL The European Molecular Biology Laboratory
EMBL Scientific Computational Facilities and Services including BLAST, FASTA, DALI, PREDICTPROTEIN
The Journal of Computer-Aided Molecular Design
TMMeC The Molecular Modeling Electronic Conference; a Peer reviewed web chemistry journal
MathMol: What is Molecular Modelling?
Molecular Biology Resource
NAB - The Nucleic Acid Builder
The NCBI Structure group
NCSA BIOLOGY WORKBENCH
The NIH Guide to Molecular Modelling
PDB at a glance
Protein Science - the electronic journal of the Protein Society
Protein Sequence Analysis and Structure Prediction at BMERC
The UCSF Computer Graphics Laboratory
University of Reading, Chemistry Department - Computational Chemistry and Modelling Group
ACES II Advanced Concepts in Electronic Structure
ADF Amsterdam Density Functional program
AMBER - Molecular simulation programs
ATMOL an ab initio program
AutoDock Automated Docking of Flexible Ligands to Macromolecules
Babel - file format converter (ftp site)
CACTVS A Chemistry Algorithm Development Environment
CADCOM MOLECULAR MODELING on a PC
CADPAC -- The Cambridge Analytic Derivatives Package
CambridgeSoft Corporation (ChemDraw etc)
CAMO Software: specialises in multivariate data analysis software, in particular Unscrambler
Chemistry, biochemistry and biotechnology software for Silicon Graphics computers
Chemistry software for MS-DOS
Chemistry software for MS-Windows
ChemWeb from SoftShell Online: a tool for creating chemical structure images for HTML documents
Cn3D See in Three-Dee for the Macintosh
COLUMBUS general ab initio electronic structure calculations
CRYSTAL - ab initio electronic structure calculations on periodic systems.
CrystalMaker Real-time crystallography for personal computers
DALTON; Program for ab initio calculation of molecular properties by SCF, MP2 and MCSCF.
DeFT - A gaussian density functional program
DOCK docking" molecules
EyeChem - Explorer modules for molecular modelling
ExPASy Access Swiss-Model Automated Protein Modelling Server, Prosite databases etc
FlexX automatic prediction of receptor-ligand interactions
GAMESS (US) - general ab initio program
GAMESS (UK) - general ab initio program; not the same program as above.
GAP (Geometric analysis programs)
Gaussian: The Official Home Page
gOpenMol - Graphics Interface to the OpenMOl programs
GRAMM Global Range Molecular Matching
GRASP Graphical Representation and Analysis of Structural Properties
GROMACS Molecular Dynamics on Parallel Computers
GROMOS Dynamic Modelling of Molecular Systems
HDBPLUS Hydrogen Bond Calculation Program
HYDRO calculation of hydrodynamic properties
HyperCube - HyperChem, ChemPlus and HyperNMR
LIGPLOT Program for automatically plotting protein-ligand interactions
MacroModel - Molecular Modelling
MOLDEN visualization of molecular and electronic structure
MOLDRAW Molecules and crystals on a personal computer
Molecule for Macintosh which can also run on a PC using ARDI's Executor
The Molecular Modelling Toolkit
MolEdit - an editor for quantum chemistry input files
MolGen - Molecular modelling for PCs
MolPro an ab initio package by H.-J. Werner and P. J. Knowles
MSI/Biosym Molecular Modelling Software
MOLSCAT - Quantum non-reactive molecular scattering program
MDL Products - including Chime, ISIS/Draw and ISIS/Base
Molscript - molecular graphics as Postscript files
MolView and Molview Lite - Molecular rendering for the Macintosh
Moviemol - the molecular animation program
MSI/Biosym home page - Molecular Modelling software
MultiSimplex - for rapid experimental optimization
NAB molecular manipulation language
The NIH software index
OpenMol OpenMol Community
Oxford Molecular computer-aided chemistry and bioinformatics software
PEP Protein Electrostatics.
PMD - Parallel Molecular Dynamics
PovChem Combining chemistry and ray tracing
PCMODEL small molecule modeling program
Prometheus Software for Molecular Design
PSI 2.0 - Wavefunction Evaluator
Python source code for computational chemistry
Quantum Chemistry Program Packages
Rasmol - Molecular visualisation program:
Re_View - Dynamic reaction data visualization and analysis tool
Schrödinger Inc. - Electronic structure software
Software Reviews from the CTI Centre for Chemistry
SOLPRO prediction of Solution Properties of rigid macromolecules and bioparticles
SPROUT de novo ligand design
STALK: A Molecular Docking System
Steric: A program to calculate molecular steric effects
TINKER package for molecular mechanics and dynamics
TransCube, TransFreq, Molnf and Scian Programs for visualising Gaussian 94 output and Scientific Visualisation
SYBYL - software from Tripos
TURBOLMOL ab initio electronic structure calculations -mainly on the SCF level of theory
Viseur visualize G Protein-Coupled Receptors
Wavefunction Inc. - makers of Spartan, etc.
WHAT IF protein structure analysis program
UNICHEM molecular modeling package
VIEWMOL graphical front end for some quantum chemical and molecular modelling programmes
VMD - Visual Molecular Dynamics
XMol - An X Windows-based molecule rendering and animation package and the XMol FAQ
Chemical Java - Examples and Tutorials
Tripos's Websketch
Java Water Calculation
Quantum wave scattering
3D stereo pair modeller
Java molecular modelling example #1
Java molecular modelling example #2
Java molecular modelling example #3
Equation rendering using Java
Java Chemistry Page from R Muller
Indiana University Molecular Structure Center
Least
Squares Fit to Lennard-Jones Potential
Chemical examples of VRML
(virtual reality)
VRML in Chemistry at Darmstadt
Xtal-3dVRML 3D-visualisation
VRML A Crystallographer's Guide to Internet Tools and Resources
The computational chemistry conference database
The 1st Electronic Computational Chemistry Conference
The 2nd Electronic Computational Chemistry Conference
Yahoo's index of Chemistry conferences
The Annotated Australian Address Book
Goanna - the guide to Australian net services
The Australian web site listing
The Little Aussie Web Wombat Australian Search Engine! - specifically for Australian Web Sites
Australian educational resources
ANU Bioinformatics hypermedia service
The CAUT (Committee for the Advancement of University Teaching) home page
The four universities involved in the CAUT Computational Chemistry Project:
Northern Territory UniversitySwinburne University of Technology
The University of Tasmania
The Victorian College of Pharmacy (Monash University)
The Numerical Algorithms Group
New Scientist: Planet Science
SciEd: Science and Mathematics Education Resources
The Globewide Network Academy
Virtual reality via the WWW - VRML at NCSA
The Best of the Web contest
Popular web browser home pages:
Web search tools
and General FTP Sites
Here's a simple interface to WebCrawler - type in a search word and press the 'Search' button:
This is a simple interface into Lycos - type in a search word and press the 'Search' button:
Overview of chemical mailing lists - mirrored from Belgium.
The CCL Computational Chemistry mailing list
bionet.biology.computationalScience newsgroups:
bionet.journals.content
bionet.molbio.embldatabank
bionet.software
bionet.software.sources
bionet.software.www
bionet.structural-nmr
bionet.xtallography
sci.answersDejaNews Research Service - a search engine for Usenet newsgroups.
sci.chem
sci.polymers
