Dear all, thanks for your help, I got is (somehow) working now: http://sassy.formativ.net/research/nbo.html
However, in order to switch from the single orbitals to the donor/acceptor view forth and back, I am currently reloading the molecule. Is there a better way of doing that instead of: load files/nbo.gz filter "NBO"; rotate z 0; spin on; zoom 90; cpk off; select *; color cpk; wireframe 0.2; spacefill off; frame 1.1; isosurface color mo15 mo 15 fill translucent 0.5; frame 1.2; isosurface color mo655 mo 655 fill translucent 0.5 (that is what happens if you are pressing one of the buttons). I was trying to somehow 'clean' the used frame (so I only see the molecule again) but that does not seem to have worked. I am sure there is a better way of doing it, or? Note that I alread had to compress my file in order to speed up the loading time. All the best from Glasgow! Jörg -- ************************************************************* Jörg Saßmannshausen Research Fellow University of Strathclyde Department of Pure and Applied Chemistry 295 Cathedral St. Glasgow G1 1XL email: [email protected] web: http://sassy.formativ.net Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html ------------------------------------------------------------------------------ Enter the BlackBerry Developer Challenge This is your chance to win up to $100,000 in prizes! For a limited time, vendors submitting new applications to BlackBerry App World(TM) will have the opportunity to enter the BlackBerry Developer Challenge. See full prize details at: http://p.sf.net/sfu/Challenge _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
