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. 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
