Career Info
Chemistry Portals
- Rolf
Claessen's Chemistry Index
- CHEMINFO: Chemical
Information Sources from Indiana University
- Chemist's
Art Gallery(Links to Many sites)
-
Chemical Education Resource list of Ralph Logan Jr.
- Chemistry
Education Resources
-
Chem Sites - Nice Collection
- NIU Chemistry Home
Page (Chem Info)
- Chemistry
UCLA
- MedChem/BioByte WWW Server
(Links to Chemistry Resources)
- American Chemical Society - Home
Page
- North Jersey Section (ACS)
- ACS - Committee on
Professional Training
- Chemical Industry
Search Engine - ChemIndustry.com - Home
- Linux4Chemistry Nikodem's website
-
History of Chemistry
- Chemical Heritage
Foundation
-
Carmen Giunta's classic chemistry page
-
Chemical Genealogy Database
-
Philosophy of Chemistry
General Chemistry
- C&EN: 75 Years of Chemical Research
-
General Chemistry Guide and FAQ
- Chemicool Periodic
Table (MIT)
- A Periodic Table of
the Elements at Los Alamos National Laboratory
- WebElements
-
Valence Shell Electron Pair Repulsion (VSEPR)
-
Structure and Isomerism of Coordination Compounds
-
Molecules from Chem - Okanagan University College
- MIT 3.091 Atomic and
Molecular Orbitals
- Scanning
Tunneling Microscopy (Images etc.)
- Rahmen
STM Homepage (STM Kit + software)
- Molecular Expressions: Images from the Microscope
- Chemistry Film Studio Homepage(quick-time clips)
Physical Chemistry
- ACS Division of
Physical Chemistry
-
UCSD's World of Physical Chemistry
-
Theory of Atoms in Molecules: Introduction
- Atoms in Molecules - Images (Creon Levit)
-
Laplace Fields: New Pictorial Approach to Mol
Struct and Reactivity
-
Molecular Data
- Molecular
dynamics info/benchmark
- Atkins,
Physical Chemistry - WEB LINKS
-
The Page of Entropy
-
Bishop's Univ. Living Book of Physical Chemistry
-
Theoretical Chemistry-A Self-Guided Introduction
- Basics of Density Functional Theory
-
Module 5 - Basic ab initio quantum chemistry
- Sam's Laser
FAQ - Laser Information Resources and Parts Sources
Organic Chemistry
- Good list of organic chemistry links
- Organic
Chemistry, etc.
- organic
home page (TAMU)
-
Web-sters Organic Chemistry(Lists of Links)
- Combinatorial Chemistry and
Solid Phase Synthesis
- Reaction Index: Name Reactions in Organic Chemistry
- IUPAC Nomenclature
Home Page
- Bibliographic
Sources (Nomenclature/IUPAC)
- IUPAC
Organic Nomenclature (ABC Rules)
-
ACD/I-Lab - Guest Login/Free Iupac Names
- Woordenboek Organische
Chemie (look up structures)
-
Organic Reaction Mechanisms
-
SYNGEN Web Page
- SPURT Synthesis Planning Using Reaction Types
-
Computer-Aided Design in Chemistry (Synthesis)
-
HOLOWin (Computer-Aided Synthesis)
- CMBI - LHASA:
Overview (Compter-Aided Synthesis)
- The SYNCHEM Group
- Welcome to the World of Computer Assisted Synthesis Planning - WODCA
-
DENDRAL (MS Compound Identifier)
- CAMEO
Project Home Page (Computer-Aided Synthesis)
Biochemistry
- BioChemNet (Online
Courses/Educational Resources)
- Biotechnology
Resources
- Biotech/Biochem
Info & Resources
- Protein Information
Resource
- Heme Proteins
- BiolRes: Biological and Chemical Internet Resources
-
Molecules R US - Overview (NIH/Proteins)
- ProtoMap -
Exhaustive Classification of Proteins
- Protein
Finder
-
DomainFinder (protein domains)
- European Molecular
Biology Laboratory
Comp Chem (Small Molecules)
- COMP Division
Home Page
- Computational
Chemistry List (CCL)
-
Leif Laaksonen's List of Comp Chem Sites
- Comp Chem and Related Maillist Archives
- QCPE
- Chemical Topics (Intro to Many Comp Chem Items)
- Welcome To SPEC
(benchmarks)
-
PERFORMANCE of VARIOUS COMPUTERS in COMP CHEMISTRY
- REVIEWS IN
COMPUTATIONAL CHEMISTRY
-
Computational Chemistry, Molecular Modeling (Soaring Bear)
- Parallel Quantum Solns -
Linux/QM products
- Molecular
Modelling(Rzepa Course)
-
Comp Chem - Guide to Input Files, TS searches, etc
- Babel Home Page
(convert comp chem files)
-
History & More of Comp Chem
- CompuChem Software for
Chemistry (includes Mol2mol - conversion)
- Center for
Molecular Modeling (NIH)
- ADF utilities
(Bader's analysis)
-
Molecular Modelling Toolkit
- GAMESS
Home Page
-
The PC GAMESS Homepage
- Gaussian, Inc.
-
Gaussian94 - Some tips
- Gaussian
Visualization - Misc Progs
-
Gaussian Basis Set Order Form
- Tips on using Gaussian (Aeronautical Systems Center)
-
Computational Chemistry Tips (ASC MSRC)
- Instructions/
tips for installing many comp chem progs for linux (WebMO)
-
CRUNCH - Valence Bond Package
- QSAR - free program
- SIMS Free Tunneling
Calculation Program
- The Molecular Monte Carlo Simulation Home Page
- Jorgenson
Programs:CAMEO, BOSS, Mol Editors
- MOLDY
& Links to other MD Programs
- NAMD - Scalable
Molecular Dynamics
- LAMMPS - classical MD program (many applications)
- National Simulation
Resource(Simulations, Diffusion, Transport, etc)
- CCP5 : COMPUTER
SIM OF CONDENSED PHASES (Source Code Repository)
- Molecular
dynamics info/benchmark
-
Re_View - Molecule Animator
- National HPCC Software Exchange
(NHSE)(SuperComputer/Parallel)
- NIH LoBoS Supercomputer
Home Page (Many PCs)
- PC-CLUSTER INFO (Beowulf, Comp Chem)
-
LOTUS - A 70 processors Beowulf class computer
- Scientific Computing Associates -
Linda (for Linux, too)
- Free
symmetry program
Comp Chem (Biopolymers)
- MidasPlus
- (Bio)Molecular display & simulation
- HONIG LAB AT
COLUMBIA UNIVERSITY
- The DOCK WWW
Page
- Computational Biology Tools (Cornell Theory Center -protein software)
- FlexX Homepage
(Ligand/Receptor + Docking)
- Situs Program
Package - Free Docking Program
- Computational Biology Tools (Elber & Scheraga) - Folding, Mol Dyn, More
- Silicon
Graphics Teaching Laboratory Sybyl
- YASARA - A
nifty MD/Protein Program on a custom cluster
- CMC
Ribbons Software by Mike Carson
-
MolSurfer - Java Protein Surface Program
- TINKER Molecular
Modeling Package - MD + Peptides
- National Simulation
Resource(Simulations, Diffusion, Transport, etc)
- PROPAK -
rotomer/folding program
- CMBI, 3D modelling
services(WHATIF -Sybyl like)
- MODELLER
(comparative protein structure modeling)
- SLEUTH - find
protein motifs
- Macromolecules
(e.g. Proteins) in Movement
-
AutoDock Home Page (Scripps)
- PDBtool Home
Page
- VEGA: Software
bridges/tools for docking/MD/etc progs
- Computational Biology Tools
-
Raster3D (photorealistic molecular graphics)
-
Small Molecules in pdb Format
- SWISS-
MODEL - Online Comparative Protein Modeling
- Swiss-
PdbViewer (can superimpose proteins)
- The Protein Sidechain/Rotamer Webpage (Dunbrack)
- ProFit - LS Protein Alignment
-
BIOcomputing, 3D modeling services (alignment, etc)
-
Pedro's BioMol Tools - Tutorials, etc.
- Sali lab at The
Rockefeller University (Protein Modelling)
Molecular/Biomol Visualization
- OELib -
Open Source Chem Stucture Libs, etc.
-
History of Molecular Visualization
- Molecular
Visualization Tools and Sites
- XVibs-Generate
files for animating vibrations
- XMakemol
Homepage-3D Molecule Display/Vibs
- viewmol (at CCL)
(Visual Molecular Dynamics)
- Graphics
Interface for OpenMol (gOpenMol)
- gOpenMol/Linux tips
-
MOLDEN visualization of molecular and electronic
structure
- Molecular Virtual Reality
- Xmol
(Molecule Viewer)
- mdxvu - visualize
trajectories
-
Moldraw - draw molecules and vibrations
- Molecular Arts
Corporation (Molecule Viewers, etc)
- VMD Home Page
(Visual Molecular Dynamic - Free Biomol viewer)
- Marvin Molecule
Sketcher & Viewer Applets
- RasMol Home
Page (and Chime)
- RasMol2.6b2
patch for linux
- Rasmol 2.7
-
JaMM 2 - java applet, molecular strucutres
- The spock homepage
- mol/protein graphics Linux/SGI
-
CACTVS (Viewing Comp Chem, etc)
- viewmol
-
XMView Linux/Unix (Bio)-molecular visualizer
- TORVS -
Chemical Internet Services (submit structures --
get gif, vmrl, etc.)
-
Biomer - Java Molecule/Biomolecule Builder
-
Youliang Wang's Java Applets & Source for 3D Molecules
-
Summary of Java Tools for Chemistry
- ChemAxon - JChem
(Chem Structure Java applets)
-
JaMM 2 - java applet, molecular strucutres
- DisMol,
a freeware molecule display applet
- ExPASy Molecular Biology
Server(Proteomics, BioMol Viewers, Gel Stuff...)
-
IU Molecular Structure Center - 3D Molecules
Chem Structure Drawing Progs
- MDL, Info Systems (ISIS/Draw -
Free, Chem Structure Drawer)
- ChemSketch
(Free)
- Molecular Simulations Inc -
Modeling and Simulation Software (free small mol drawer)
- MDL Info Sys,
Free Chime/ISIS-Draw
- ChemWindow Online From
Bio-Rad/Sadtler
- CambridgeSoft Home Page
(ChemDraw)
- ChemInnovation
(Chemistry 4-D Draw)
-
XDrawChem
- Chemtool
- Linux/Unix, Primitive Structure Drawer
- BKChem
- 2D Drawer (good rec)
-
JChemPaint - 2D mol structure editor in Java
- Jmol-3D java editor
- SMILES Home
Page (Chem Nomenclature & Date Exchange format)
- WebMO -
Builder/Interface for Comp Chem progs
Databases
- Biocatalysis/
Biodegradation Database (Enzymes)
- Enzyme
Database
- Genamics SoftwareSeek
- Molecular Biology and Biochemistry Software Database
- NCI 3D
Search - 12500+ drug structures
-
TOXNET Web Search (Toxicology Data)
- ChemWeb - List of
Chemical Databases
- ChemFinder Searching
- NIST Database of
Isotopes in the Atmosphere
- ExPASy Molecular Biology
Server - Protein and Mol Bio Databases
- Nucleic Acid Database
- Protein3D Homepage
(Includes a protein comparison form)
- Klotho:
Biochemical Compounds Declarative Database
- Molecular Biology
Databases
- Chemical
Reagents/Chemical Suppliers
- Forum: Chemical
Information and Chemical Substances
- WWW Chemicals
(Companies/Databases)
- Protein Data Bank
(PDB) - Brookhaven
- EMSL CRDB -
Database of Elec. Struc. Calcs.
- The Cambridge
Crystallographic Data Center (CCDC)
- EMBL Dali: 3-D protein
structure database searches
-
IU Mol Struct Center - Look Up 3D Struct, Xtal linkks
-
Molecular Database Browser (Some Gaussian Results)
- Sharc
ab initio NMR Archives Software
- Carl
Melius' Thermochemistry (ab initio) Database
-
WebMolecules - 3D Molecules
- MathMol- 3D
structures of molecules and biomolecules
- Welcome to Quantum
Chemistry Literature DataBase
Crystallography
- X-Ray
Crystallography Links
- IUCr - International Union of
Crystallography (Good Software Database)
- Protein Data Bank
(PDB) - Brookhaven
- The Cambridge
Crystallographic Data Center (CCDC)
- IUCr -
Int. Union of Crystallography (Software Database)
- ORTEP-III
- ORTEP-3 for
Windowsd
- SHELX
(Crystallography Program)
- Crystallography
Source Code Museum
Software Lists
- Chemistry Software and
Information Resources
- Chemistry
Software (Fribourg List)
- Cherwell Scientific (gNMR,
Modeling,Animation,Mac Fitting)
- National HPCC Software Exchange
(NHSE)(SuperComputer/Parallel)
- Linux
programs in Chemistry
-
Steven's List of Chemistry Software on the WWW
- Mathtrek (Equilibrium Calc
Software)
Spectroscopy
- NMR Information Server
- Sharc
ab initio NMR Archives Software
- NHMFL NMR,
EPR, ETC.
- Basics of NMR
- Online Book
- NMR Lab Renovation Responses
- WebSpectra -
Problems in NMR and IR Spectroscopy (and links)
- Tutorials/Problems for Spectroscopy
- NY Structural
Biology Center
- NMR Program - Archive of Official Documents
- Mass
Spectrometry
Isotopes
-
ISOGEOCHEM
- Table of Isotopes (Lawrence
Berkeley National Lab)
- NIST Database of
Isotopes in the Atmosphere
- NIST Database of
Isotopes in the Atmosphere
- Calculate Isotopic Fractionation Factors
- Groups-Cheatham's Stable Isotope Ratio Mass Spectrometry Page (lists of IRMS groups)
-
UVM mass spec links
Safety/Reference Info
- Lab Safety
Manual
- Where to
find MSDS on the Internet
- The NIST
Reference on Constants, Units, and Uncertainty
- NIST Standard
Reference Data Products Catalog (Spectra, Etc.)
Career Info
- Chemistry and Industry
Jobs Database
- Teach for
America
- Kelly Scientific
Resources
- Resumé
Rocket Science
- Science, Math, and Engineering Career Site
- Chemistry
Today - Jobs
- Welcome to Science's
Next Wave
- AWiSE - Association for Women
In Science and Engineering
- JobWeb - Linking jobs, job
seekers, and job-search information
- A Career Planning
Center for Beginning Scientists and Engineers