Jennifer Muzyka wrote: >I'm wondering if it would be possible to have Jmol open Chem3D files to >get the molecular orbital information out of them. It looks like when I >export files from Chem3D I get the structure of the molecule but the >orbital information is lost. >-Jennifer > > > > Jennifer, can you send me some more Chem3D files? I'd like to check these some more before advertizing them too much. I think I have the charges right now, but something is still wrong with reading the embedded surface.
You SHOULD be able to use isosurface molecular mep and get a nicely colored surface, but I don't think 10.9.72 has that quite right. Bob ps -- that's allyl cation, not allyl radical. ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
