The model should contain a 2,2'-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) molecule, but just displays half of it (the imidazol plus half the phenylene - the remainder being related by symmetry). For a better picture, see http://journals.iucr.org/e/issues/2011/02/00/ds2078/index.html or upload the cif to http://checkcif.iucr.org/ which will produce a platon plot.
I think this is a symmetry problem, but I cant find a way to script jmol to produce the full phenylenebis(imidazole). Loading 27 unit cells (444 666.. etc), I can find the connected moiety visually, but I cant isolate it in an automated way (without knowing what I'm looking for). Cheers Simon Quoting Angel Herráez <[email protected]>: > Hello Simon > > Can you explain what it is you expect to obtain? > I can open the model without problem and, as far as I can see by > looking at the file contents, > all atoms are there. > > I'm afraid that my knowledeg of CIF files is nill. > > > > > > ------------------------------------------------------------------------------ > AppSumo Presents a FREE Video for the SourceForge Community by Eric > Ries, the creator of the Lean Startup Methodology on "Lean Startup > Secrets Revealed." This video shows you how to validate your ideas, > optimize your ideas and identify your business strategy. > http://p.sf.net/sfu/appsumosfdev2dev > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > ------------------------------------------------------------------------------ AppSumo Presents a FREE Video for the SourceForge Community by Eric Ries, the creator of the Lean Startup Methodology on "Lean Startup Secrets Revealed." This video shows you how to validate your ideas, optimize your ideas and identify your business strategy. http://p.sf.net/sfu/appsumosfdev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
