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CCL Data Sites

Topics

Sites devoted to a specific topics,

Data

Sites with data database and results,

Software

Collection of software,

Hardware

Collection of hardware,

Institutions

Departments, Companies, Organizations, Publishers,

Listsofsites

Collections of useful links,

Searchengines

Search engines,

Data Sites

The following are data sites that may be of interest to computational chemists:

Structural Databases
- Cambridge Crystallographic Data Centre (CCDC)
  - Cambridge Structural Database (CSD) System -- database of small molecule crystal structures
- Enhanced NCI Database US mirror
- Nucleic Acid Structural Database (NDB)
- NCI DIS 3D Database -- A collection of 3D structures for over 400,000 drugs.
- NCI Drug Information System 3D Database
- Protein Data Bank (PDB) (formerly, the Brookhaven Protein Database)
- Structural Classification of Proteins (SCOP)-- intro and database
Other Chemical Databases
- ChemWeb Databases
- IUPAC Recommendations and Database
  - IUPAC Glossary of Organic Class Names
- IUPHAR Databases:
  - G Protein-Coupled Receptors
  - Voltage-Gated and Ligand-Gated Ion Channels
- Molecular Monte Carlo -- links to hypertext tutorials, software repositories, etc. on Monte Carlo methods
- NIST Standard Reference Databases
- QSAR World Datasets
- X-Ray WWW Server -- COREX Database (atomic/molecular core edge excitation oscillator strengths), Henke scattering factors, emission lines, etc.
Bibliographies, Databases and Guides to Documents and Software
Relevant Software Repositories, ...
- GNU Project and the Free Software Foundation (FSF)
- GNU Compiler Collection (GCC) -- C, C++, Objective C, Chill, Fortran, Java
Scientific Visualization
- Hyperactive Molecules Using Chemical MIME
- VRML Tutorials, Resources, and Books
Miscellaneous
- Periodic Table -- from ChemiCool.com site
- Unit Conversions -- web form for converting units

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