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Sophie

distrib > Mandriva > 2010.0 > x86_64 > by-pkgid > 2cb3346b776f61268a462df75f3c098c > files > 11

bodr-8-2mdv2010.0.x86_64.rpm


README
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This is the Blue Obelisk Data Repository (http://sf.net/projects/bodr/).

It is licensed with the MIT license.

It represents a set of common, standardized data for chemoinformatics
in both XML and plain-text formats. This data is open for common use,
under the expectation that others will contribute to the repository,
either via tabulations of additional properties or revisions/comments
on existing data.

The concept is that via shared default data, reproducing computational
chemistry and chemoinformatics will become more reproducible :-).

Currently this encompasses:
* Elements directory
  * element names and symbols
  * atomic masses, covalent radii, van der Waals radii
  * Pauling electronegativities
  * electron affinity
  * ionization potential
  * default element colors for viewers
* Isotopes directory
  * exact masses of most abundant isotopes
  * isotopic masses and abundances
  * spin
  * kinds of decay, percentages and energy
  * magnetic dipole moment
  * halflife