-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Tuesday 19 October 2004 19:02, Dan Damelin wrote: > I'm interested in creating a few simple models which contain > vibrational modes similar to the one found on the jMol demo page: > http://jmol.sourceforge.net/demo/vibration/ > > I only want to do a limited number of small molecules (3 or 4 max) for > educational purposes, so I don't want to pay the $750 licensing fee > Gaussian would require. Are there any free packages out there that would > create the same kind of file?
It's not a QM program, but molecular mechanics instead, and it's free and can calculate vibrational modes: Tinker: http://dasher.wustl.edu/tinker/ Jmol currently does not support Tinker files, but that's something that we could work on... Egon - -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.4 (GNU/Linux) iD8DBQFBdVrYd9R8I9Yza6YRAlxeAJ4ojiueF84Rrf8Z+v6R7woiDmhKAACfdPpQ FrbO35DHILVN15hLXVmalxI= =iQON -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
