On 29 Jan 2007 at 12:30, H. Paul Benton wrote: > yea the file was created by jme so it's 2D file. I guess I was thinking > something like in chemoffice > or others like it after you draw in a molecule you can ask it to look at the > torsion angles and it will > reduce the energy and all that good stuff. But I'm happy with it just working > at the moment. THX
ChemSketch has a "3D optimization", although it only opens MOL files. It also accepts SMILES notation (pasted by hand I guess). ------------------------------------------------------------------------- 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 Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
