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*[[Crystallographic database]] [[Category:Chemical databases]] ...

...n a million unique material data sets. Each data set contains diffraction, crystallographic and bibliographic data, as well as experimental, instrument and sampling co ...es of the ICDD include the paid subscription based Powder Diffraction File databases (PDF-2, PDF-4+, PDF-4+/Web , PDF-4/Minerals, PDF-4/Organics, PDF-4/Axiom, a ...

...for data-mining crystallographic databases, distributed by the [[Cambridge Crystallographic Data Centre]] ...

...w require scientists to submit their structure data to the PDB. Many other databases use protein structures deposited in the PDB. For example, [[Structural Clas ...io233223b0|doi-access=free }}</ref> as a joint venture between [[Cambridge Crystallographic Data Centre]], UK and Brookhaven National Laboratory, US. ...

...= [[University of Cambridge]], [[Cavendish Laboratory]], [[Cambridge Crystallographic Data Centre]] ...specialised in [[crystallography]]. She was the founder of the [[Cambridge Crystallographic Data Centre]]. ...

...ces. Hermann was a pioneer in [[Crystallographic database|crystallographic databases]] and, along with [[Paul Peter Ewald]], published the first volume of the i ...eloped the first description of anisotropic properties of materials from a crystallographic perspective.<ref>{{Cite journal |last=Hermann |first=C. |date=1934-12-01 |t ...

==Types of chemical databases == Bioactivity databases correlate structures or other chemical information to bioactivity results t ...

...this treats chiral equivalents as separate entities), called [[Space group|crystallographic space groups]].<ref>{{Citation|last=|first=|editor-first1=T. R|editor-last1 == Crystal faces, shapes and crystallographic forms== ...

...allows for a programmatic means of accessing online [[Biological database|databases of biological information]], such as those at [[National Center for Biotech === Accessing online databases === ...

...ographic Information File) is a standard text file format for representing crystallographic information.<ref>{{Cite web|url=https://www.wwpdb.org/documentation/file-fo === Other structural databases === ...

...irst2=John T.|last3=Wang|first3=Andy C.|last4=Berry|first4=Edward A.|title=Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, [[Category:Thermodynamics databases]] ...

...nger]] successfully sequenced [[insulin]]{{when|date=May 2019}} and by the crystallographic determination of myoglobin and hemoglobin by [[Max Perutz]] and [[John Kend ...

...tal and the positions of the atoms, as well as their [[chemical bond]]s, [[crystallographic disorder]], and other information. ...initio'' calculations. In almost all cases new structures are deposited in databases available to the international community. ...

...quence|peptide]] sequence data from local and remote [[Biological database|databases]] ...cro-molecular structures have been adapted to more closely represent the [[Crystallographic Information File|mmCIF]] data model. This was the first release in over two ...

...ctroscopy]]. The lack of electron density in [[X-ray crystallography|X-ray crystallographic]] studies may also be a sign of disorder. ===Disorder databases=== ...

...ference materials in the 2021 Powder Diffraction File Databases, and these databases are interfaced to a wide variety of diffraction analysis software and distr *[[Crystallographic database]] ...

| caption = Crystallographic structure of glutathione ''S''-transferase from ''[[Taxonomy of Anopheles|A ...acid sequence]], and a large fraction of the sequences deposited in public databases are of unknown function.<ref name="pmid19842715"/> The [[Enzyme Function I ...

...nalysis for average [[misorientation]], [[Grain boundary|grain]] size, and crystallographic texture. EBSD can also be combined with [[energy-dispersive X-ray spectrosc ...973 |title=Electron back-scattering patterns—A new technique for obtaining crystallographic information in the scanning electron microscope |journal=The Philosophical ...

| caption = [[Protein crystallography|Crystallographic]] structure of the<br />homodimer of human [[ADH5]].<ref name="pmid12196016 ...ral zinc sites in horse liver alcohol dehydrogenase (HLADH) as revealed in crystallographic structures, which has been studied computationally with quantum chemistry a ...

...i Y, Tsurukame J, Matsumoto K, Kawamoto I, Takeo M, Higuchi Y |title=X-ray crystallographic analysis of 6-aminohexanoate-dimer hydrolase: molecular basis for the birth ...e been identified through Sanger sequencing that do not overlap with other databases. When a frameshift mutation is observed it is compared against the Human Ge ...