PDB (Protein Data Bank) Database
Spartan provides a link to the PDB (Protein Data Bank). Users can retrieve (based on PDB ID) entries from RCSB PDB (provided your computer has current internet connectivity). The Protein Data Bank includes more than 30,000 x-ray crystal and NMR structures of proteins and nucleic acids.
Spartan Molecular Database (SMD)
Spartan Molecular Database (SMD) of calculated structures and properties:
- Exact and substructure search of over 140,000 molecules
- Name, Formula, Weight and isomer searching
- Includes over 40,000 IR spectra, over 20,000 NMR spectra and 2000 UV/vis spectra
- With over 1200 molecules bound to proteins/nucleotides from PDB (Protein Data Bank)
Spartan Reaction Database
Spartan offers the Spartan Reaction Database which has a substructure search of over 1500 organic and organometallic reactions with details on molecules transition states and IR spectra. Also for provides initial structure guesses for transition state geometry calculations.
Cambridge Structural Database (CSD)
Accesses the Cambridge Structural Database (CSD)* of over 300,000 experimental X-ray crystal structures for organic and organometallic molecules, together with their literature references. Spartan optionally adds hydrogens and refines hydrogen positions.
* Access to the Cambridge Structural Database (CSD) must be licensed separately.
NIST Experimental Database
If your computer has internet connectivity, Spartan* can retieve and plot experimental IR Spectra (~ 14,000 molecules) and UV/Vis spectra(~ 1,500) from the NIST experimental IR spectra database and NIST experimental UV/vis spectra database
University of Cologne NMR database
If your computer has internet connectivity, Spartan* can retieve and plot experimental NMR Chemical Shifts (~ 15,000 molecules) from the University of Cologne NMR database.
* Access to the university of Cologne NMR database is only avaiable in Spartan