Hmmm, that's worrying - these CIFs were apparently written by JANA and have been published. I will look into this...
Any luck with the other problems with the JSmol applet hanging while Jmol Java loads the CIFs OK? Cheers Simon Quoting Robert Hanson <hans...@stolaf.edu>: > well, Here's what Jana2006 says. It's invalid. > > Do you have that so you can do your own testing? > > That said, I'm not adverse to having Jmol read these. But I really think > you need to divide the wave vectors by 1/2. > I'll ask Vaclav about this. > > Bob > > > [image: Inline image 1] > > > > > > On Fri, Jun 12, 2015 at 10:27 AM, <si...@publcif.co.uk> wrote: > >> Just been testing Jmol 14.2.14 with my collection of msCIFs. >> I am seeing a number of file reading problems (JSmol and Java application) >> and a number of instances where the JSmol applet simply hangs. >> >> Example of file read problem: >> >> script ERROR: Error reading file at line 818: >> data_ce-cbn >> Missing cell wave vector for atom wave vector for D_2#z;Nb1 >> [0.0,-7.099999929778278E-4,0.0] >> for file file:/home/simon/Documents/ck5044.cif >> type Cif >> >> The CIF is here: >> http://scripts.iucr.org/cgi-bin/sendcif?ck5044 >> >> An example that simply hangs in JSmol: >> http://scripts.iucr.org/cgi-bin/sendcif?xk5017 >> >> I'm also seeing cases where the model seems to load but doesn't render, >> e.g. >> http://scripts.iucr.org/cgi-bin/sendcif?dk5003 >> >> These all worked with Jmol 14.0.5 (which is what I used when I put >> this collection of >> 60+ msCIFs together) >> >> Hope this is fixable, especially as when it does work it works brilliantly! >> >> Cheers >> >> Simon >> >> PS same problems with version 14.2.11 which is used by the IUCr >> >> >> >> ------------------------------------------------------------------------------ >> _______________________________________________ >> Jmol-users mailing list >> Jmol-users@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/jmol-users >> > > > > -- > Robert M. Hanson > Larson-Anderson Professor of Chemistry > Chair, Department of Chemistry > St. Olaf College > Northfield, MN > http://www.stolaf.edu/people/hansonr > > > 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 > ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
