2011/9/14 Herráez Sánchez Ángel <[email protected]> > > Well, I understand there may be problems. But the 2D / 3D is a spec in the > file format. > > > For example, the Resolver on odd occasions > > returns a 2D file instead of a 3D file when it has trouble converting 2D > to > > 3D. > > Does Resolver output a 2D or 3D tag in those columns? >
It does it properly, and Jmol reads that tag. It's just that we don't process the file as 2D (with minimization) unless you specifically request that. Realize that just because the file is 2D doesn't mean Jmol should modify it. That's the issue. If you know a file is 2D and you want it 3D -- or for that matter if you want any 2D or 3D file to be 3D, just add filter "2D" onto the load command. > > > That said, CTAB files ARE read > > this way -- automatically setting the dimension to 2D if that is the > case. > > But based on the Z coords, not on the 2D tag, right? > > reading the tag > > > ------------------------------------------------------------------------------ > BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA > Learn about the latest advances in developing for the > BlackBerry® mobile platform with sessions, labs & more. > See new tools and technologies. Register for BlackBerry® DevCon today! > http://p.sf.net/sfu/rim-devcon-copy1 > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- 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
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