From: Bob H. <ha...@st...> - 2004-10-16 11:08:31
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I have done that. But it's not Cambridge that has the problem (CCSD), it's the inorganic chemistry structure database (ICSD) out of Karlsruhe. I pointed them to http://journals.iucr.org/iucr-top/cif/spec/nonvalues.html Probably something we should look at carefully ourselves. Bob Miguel wrote: >>I am in Chicago and don't have full access to my data, but I'd >>like to contribute to this discussion. > > > Bob, > > Something else you need to follow up on with the ICSD ... > > I believe Peter indicated that unknown coordinate values should tagged as > '.' rather than as '-' > > Can you ask your contact in Cambridge about this? > > > Thanks, > Miguel > > > > ------------------------------------------------------- > This SF.net email is sponsored by: IT Product Guide on ITManagersJournal > Use IT products in your business? Tell us what you think of them. Give us > Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more > http://productguide.itmanagersjournal.com/guidepromo.tmpl > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Robert M. Hanson, ha...@st..., 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:ha...@st... http://www.stolaf.edu/people/hansonr |