On 04/13/2015 10:08 PM, Robert Hanson wrote: > just the way it was implemented. But you can set atomName, atomType, and > format in order to add string data to atoms. I'm sure that's not at all > clear from the documentation. > Since 'atomName' and 'atomType' are used internally (e.g. for determining Van der Waals radius or backbone atoms) one should rather not mess around with these properties. And the label is mainly intended (and needed) for providing information to the user. And even if one could use it for other purposes it would still be only a single additional property.
One could of course use an associative array for storing extra information. But the advantage of storing them as user-defined atom properties would be to be able to make use of the advanced atom selection capabilities of Jmol also for these properties. Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: rhue...@fli-leibniz.de Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 230296, Amtsgericht Jena Tax Number: 162/141/08228 ------------------------------------------------------------------------------ BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT Develop your own process in accordance with the BPMN 2 standard Learn Process modeling best practices with Bonita BPM through live exercises http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_ source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
