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Science: Chemistry: Chemical Databases
Biological Macromolecule Crystallization Database (BMCD)
- Contains crystal data and the crystallization conditions, which have been compiled from literature, including proteins, protein:protein complexes, nucleic acid, nucleic acid:nucleic acid complexes, protein:nucleic acid complexes, and viruses.
Cambridge Structural Database (CSD)
- Contains crystal structure information, chemical, and bibliographic data for about 400,000 organic and metal-organic compounds.
- A database containing information on Protein Crystallization Conditions. It helps researchers in setting conditions for protein crystallization, thus contributing to reducing the time to analyze protein structures.
Crystallography Open Database (COD)
- A project accommodating crystal structure atomic coordinates prior to their publication. It is intended to give faster access to the latest structure determinations, openly.
- The most complete collation of observed molecular and crystallographic symmetry properties to date. A relational database built using Microsoft Access.
Heavy Atom Databank (HAD)
- Information on the preparation and characterisation of heavy-atom derivatives of protein crystals. Also contains information resulting from an analysis of the binding of these heavy-atoms with proteins in the crystal environment.
Homologous Structure Alignment Database (HOMSTRAD)
- A database of structure-based alignments for homologous protein families. It provides annotated structural alignments in various formats, superimposed structures, links to other databases and the alignment and searching interface to the program FUGUE.
Inorganic Crystal Structure Database (ICSD)
- Contains records of all inorganic crystal structures, with atomic coordinates.
Metals Structure Database (CRYSTMET)
- A database of critically evaluated crystallographic data for metals, including alloys, intermetallics and minerals. Contains chemical, crystallographic and bibliographic data together with associated comments regarding experimental details for each study.
Nucleic Acid Database (NDB)
- assembles and distributes structural information about nucleic acids.
- Aims to provide a fully searchable database for the sequences of peptaibols. It deals primarily with naturally-occurring peptides, generally these have a fungal origin.
Powder Diffraction File (PDF)
- maintained by the International Centre for Diffraction Data (ICDD)
The RCSB Protein Data Bank (PDB)
- Archive of experimentally-determined, biological macromolecule 3-D structures from the Brookhaven National Laboratory. Also includes newsletters and a description of the PDB file format.
- Structure Determination by Powder Diffraction - Database : methods, tutorials, references and links.
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