Just a reminder that everyone is very welcome to post queries on the Blue
Obelisk List. Both Bert and Saulius are worthy holders of Obelisks.
On Fri, Feb 21, 2014 at 4:30 PM, Saulius Gražulis <grazu...@ibt.lt> wrote:
> On 2014-02-20 09:07, Wibe de Jong wrote:
> > I have updated the covalent radii for all 118 elements following the
> > definition of one consistent set of radii published Pyykko and Atsumi in
> > Chem. Eur. J. published in 2009. This addresses all elements for which
> > the radii were not given (mainly heavy elements), and updates others.
> >
> > The git pull request can be found at https://github.com/egonw/bodr
> >
> > Please peer review, comment, and apply.
>
> Thanks for the info!
>
> Great job, we would have a good use for the data at COD. I was not aware
> that you have such a valuable collection of facts :)
>
> What I could do, if you wish, is to run an automatic comparison of your
> tables with our ones at
> svn://www.crystallography.net/cod-tools/trunk/lib/perl5/AtomProperties.pm;
> I'm sure your table is more accurate but this could check for typos etc
> -- just in case...
>
> Regards,
> Saulius
>
> --
> Dr. Saulius Gražulis
> Vilnius University Institute of Biotechnology, Graiciuno 8
> LT-02241 Vilnius, Lietuva (Lithuania)
> fax: (+370-5)-2602116 / phone (office): (+370-5)-2602556
> mobile: (+370-684)-49802, (+370-614)-36366
>
>
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--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
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