Databases             Spartan Molecular Database (SMD)             Spartan Molecular Database (SMD), a collection of over 150,000 calculated structures and associated properties of molecules, each obtained from as many as ten different theoretical models (Hartree-Fock models with 3-21G*, 6-31G* and 6-311+G** basis sets, B3LYP and MP2 models with the 6-31G* and 6-311+G** basis sets, the EDF1 model with the 6-31G* basis set, the G3(MP2) model and the T1 model)2, as well as a collection of approximately 1,200 small molecules bound to proteins and nucleotides from the PDB. New to the SMD is the Spartan Infrared Database (SIRD), a collection of approximately 40,000 organic molecules, the infrared spectra of which have been obtained from the EDF2/6-31G* model2 and which may be searched by matching to an input (experimental) spectrum.  Current Spartan licenses include access to a subset of the SMD.  Customers that purchase maintenance are provided with the full SMD database on DVD ROM.  Licensing and additional information.           Protein Data Bank             The Protein Data Bank (PDB) is maintained by the non-profit Research Consortium for Structural Bioinformatics (RCSB) and is maintained through the Department of Chemistry at Rutgers University. The PDB is a fabulous resource for biological macromolecules. While Wavefunction software, with its strong roots in quantum mechanics, tends to focus on small molecules (drug-size and smaller), the PDB provides an excellent source of information on small molecule interaction with large molecules. Beginning with the release of Trident and Spartan'06 for Windows, Wavefunction software can query the Protein Data Bank via PDB ID query (provided your machine is on-line) and can seamlessly retrieve Protein Data Bank files for visualization and analysis. For more information, visit PDB.           Cambridge Crystallographic Data Center (CCDC)             Wavefunction's Spartan software (for Windows, Linux, and Unix) can interface and query the Cambridge Structural Database. The CSD is the world's repository for small molecule crystal data and includes more than 350,000 published crystal structures. This is an excellent resource for comparing calculated structures with those from X-ray crystallography and neutron diffraction experiments. For more information on the CSD, contact the Cambridge Crystallographic Data Centre.