Re: [Open Babel] List of monatomic ions for all elements...

2011-02-17 Thread Andrew Dalke
On Feb 17, 2011, at 4:17 PM, Ken Smith wrote: > Perhaps this is a simplistic request (I'm a non-chemist) but... > > I'd like to extend that to all the known ions (both positive and > negative, theoretical or otherwise) of all the atoms. Why? Here's people who measured polarizability of O-3 <>d

[Open Babel] List of monatomic ions for all elements...

2011-02-17 Thread Ken Smith
Hi Noel I've been parsing the element.txt and isotope.txt files that is provided in the distribution of OpenBabel. This has allowed me to produce a list of InChIs and InChIKeys for all the isotopes of all the elements (at least up to element 104 - after that the InChI generation code brea