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CCL Data Sites

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Sites devoted to a specific topics,

Data

Sites with data database and results,

Software

Collection of software,

Hardware

Collection of hardware,

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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 Archives
Miscellaneous
- Periodic Table -- from ChemiCool.com site
- Unit Conversions -- web form for converting units

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