Hi Pshemak
try this:
spacefill ionic;
print {*}.radius.all;
If you want the full list of original values used, you probably need to check
the source code. The Scripting Doc page has a link to an Excel table (it may
be not up to date, I know there was a recent change in something related to
On 4/18/2014 5:47 AM, Angel Herráez wrote:
Hi Pshemak
try this:
spacefill ionic;
print {*}.radius.all;
If you want the full list of original values used, you probably need to check
the source code. The Scripting Doc page has a link to an Excel table (it may
be not up to date, I know there
ionic in Jmol is a bit of a misnomer. I have never liked it. It refers to
a mix of covalent bonding radii and ionic radii, and really there is no
turning it off. The spreadsheet detailing this is online. See
http://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/_documents/
perhaps
These are ionic radii in the sense that Linus Pauling used them for multiple
oxidation states, extended a number of times in the literature, and probably
reaching their pinnacle in the work of Shannon et al, who calculated ionic
radii as a functional of coordination number. See
And here are my notes, in
http://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/src/org/jmol/util/Elements.java
The note about O- and N+ refers to the fact that we use the covalent
bonding radius for these, not the crystal ionic radius, because those
number are just so not useful for organic
Is it possible to print out ionic radii used by Jmol?
PM
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