> I am trying to understand the m-xyz file format and methods for > creating them for animations. > > Please can someone explain the origin of the "FOR REACTION COORDINATE" > data item in this sample m-xyz file?
I do not know where this file came from. > Does Jmol make any use of this data? The second line of an XYZ file is considered the 'name' of the model. Within the Jmol application, this line is used for identification of the model within the set of models under Tools -> Atom Set Chooser -> ... Miguel ------------------------------------------------------- This SF.Net email is sponsored by: IntelliVIEW -- Interactive Reporting Tool for open source databases. Create drag-&-drop reports. Save time by over 75%! Publish reports on the web. Export to DOC, XLS, RTF, etc. Download a FREE copy at http://www.intelliview.com/go/osdn_nl _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
