Bob, somewhere in Jmol there is code to detect bond orders, partly using bond distances. The values for that are originating from what source, but do not know which one. Peter Murray-Rust's group has been setting up CrystalEye, which comes with 'normal' bond lengths... For example [1]. I already asked PMR on splitting things up for C-C vs C=C vs C#C etc.
Maybe time to have Jmol switch to this open data? Egon 1.http://wwmm.ch.cam.ac.uk/crystaleye/bondlengths/C-C-after-protocol.svg -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
