From: Robert H. <ha...@st...> - 2010-01-18 00:53:09
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works great! 2010/1/16 Angel Herráez <ang...@ua...> > Hi Tzontonel > > I'm quite sure that's xyz format with vibrations (called XYZ+vib in some > places, such as the > Jmol home webpage). For each atom, first 3 numbers are xyz coordinates, 2nd > group of 3 > numbers define the vibration vector. > > I'm sure there is a description somewhere, but don't remember where. You > could search the > email archives. > Anyway, there's little to describe. Just that coord + vector idea. > Another business is how to generate such a file from scratch. > > > > > > ------------------------------------------------------------------------------ > Throughout its 18-year history, RSA Conference consistently attracts the > world's best and brightest in the field, creating opportunities for > Conference > attendees to learn about information security's most important issues > through > interactions with peers, luminaries and emerging and established companies. > http://p.sf.net/sfu/rsaconf-dev2dev > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |