Hello- I'm trying to invert the configuration of a single carbon atom. The symmetry operation of invertSelected inverts the configuration of target atom attached carbon atoms as well as the target. I tried selecting only the four target atom attached carbon atoms and then cleaning up with a minimize. Interesting visual, but again neighboring atom configuration is inverted after minimization.
Three questions: 1) Am I missing another invertSelected possibility? 2) Alternatively, is there a general scripting approach to simply swap two groups attached to the target atom? 3) Is there an alternative scripting path to my objective? Otis -- Otis Rothenberger http://chemagic.org ------------------------------------------------------------------------------ The Planet: dedicated and managed hosting, cloud storage, colocation Stay online with enterprise data centers and the best network in the business Choose flexible plans and management services without long-term contracts Personal 24x7 support from experience hosting pros just a phone call away. http://p.sf.net/sfu/theplanet-com _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
