disregarding the underscore is no problem. It is just extraneous, right? also, Jmol should ignore this name and simply read the symmetry operator information in those files. No?
> Unfortunately CIFs produced with Crystallographica > http://www.crystallographica.co.uk/ appear to have optional underscores in > the Hall symbol which cause 10.9.80 to fail silently eg: > > _symmetry_space_group_name_Hall '-P_2' > > This underscore is equivalent to a space according to the CIF spec: > http://www.iucr.org/iucr-top/cif/.checking/symmetry_checklist.html > and is only needed if the symbol is not enclosed in quotes. > > In general, if the Hall space group symbol is not recognised perhaps Jmol > should fall back on the H-M symbol. And if explicit operators are given > these should be preferred. Definitely it should be reading the operators -- if it doesn't recognize the name and has operators it should still be fine. I'll take a look at some of these files when I get a chance. Bob > > Unfortunately Crystallographica also uses a CIF non-standard end-of-file > line: > _eof > which also causes 10.9.80 to fail ( _eof should simply be ignored - it is > flagged as a Warning by Encifer). > > Alan. > _____________________________________________________________ > Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 > +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/ > _____________________________________________________________ > > > ------------------------------------------------------------------------- > Using Tomcat but need to do more? Need to support web services, security? > Get stuff done quickly with pre-integrated technology to make your job > easier > Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
