-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Tuesday 01 June 2004 13:27, Bob Hanson wrote: > http://www.stolaf.edu/people/hansonr/jmol/models > > Two are there--H2O and 2-hydroxybutanone > > Note that there are several options for MOPAC output files. > "xyz coordinates" is one of them. Are you reading the internal coord or > the xyz coord?
XYZ only at this moment. > Also, I have done some work similar to this using Chime. See > > http://www.stolaf.edu/people/hansonr/imt/js/ir/C5H10O2/ Nice. Have you tried to convert this to a Jmol page? > One of the things that I have noticed in other apps that is very > annoying is the overexaggeration of the vibrational movements. Are you > allowing for that to be an adjustable display parameter--how vigorous to > make the vibration? Yes, I think so... (at least I discussed it with Miguel...) > Also, how will jmol determine the actual vibrational > display frequency? (Or are we talking here about just vector > descriptions, not actual animations?) Miguel? Egon - -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFAvGy/d9R8I9Yza6YRAtK8AKClQbLnq8zfcJ2s0dN/D4LI+TKqCACgwEHB AKH4iuJucAQqG5V4LBJVw/A= =+5Mp -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.Net email is sponsored by: Oracle 10g Get certified on the hottest thing ever to hit the market... Oracle 10g. Take an Oracle 10g class now, and we'll give you the exam FREE. http://ads.osdn.com/?ad_id149&alloc_id�66&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
