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Computational Chemistry
Chemistry Links
Online Courses
| Principles of Protein Structure using the Internet | A Hypertext course on protein structure, methods of determination and modeling. |
| VSNS Biocomputing Division | Biocomputing on the web. |
Computational Chemistry Databases and Information Sources
| Computation Chemistry List | The computational chemistry listserv is maintained by J. Labanowski, Ohio State University. Searchable archives, free software, position announcements, etc. are all available here. |
| Hyperchem Home Page | Hypercube is the corporate home of Hyperchem, Hypernmr, and related software for PCs. |
| Molecular Modeling Lab - SUNY Stony Brook | |
| ChemWindow |
Ab-Intitio
| Quantum Chemistry Literature Databas | QCLDB is a literature database on ab initio MO calculations published in major journals of Chemistry, Physics, and Computer Science since 1978. Data includes author(s), journal name, volume, page, year, substance formulas, methods of calculation, basis stes, physical properties and comments. Most recently released version contains 57,037 ab intitio quantum chemistry calculations published in the period from 1978 to 2000. |
| Relativistic Atomic Theory Database | The database contains the bibliography part of the two books "Relativistic Theory of Atoms and Molecules I-II" (Springer, Berlin, 1986 and 1993), (LNCh 41 and 60) as well as additional references, mainly from 1993-6. The contents of the references are analyzed in the book. |
Molecular Graphics
| Representation of Molecular Models: Rendering Techniques | Provided by François Savary, Dept Phys chem, Um. Geneve, Switzerland. |
| Chemistry Art Gallery | Contains spectacular visualization and animations in chemistry |
Structure Databases
| Welcome to the PDB | The PDB, or potein database, is a collection of 3-dimention structures. Mostly proteins, but also some nucleic acids and polysaccharides. Page is searchable. Each entry gives references to literature and contains updated versions of the coordinates (often newer than what you will find in print). Site is maintained by Brookhaven National Laboratory. |
Journal Links
| Journal of Molecular Modeling | Online journal edited by Tim Clark, Erlangen, Neth. |
