I've just committed some rather extensive simplifications to the CIF reader. It's now a token reader rather than a line reader -- except for the CIF rules regarding # and ;, it should read a CIF file that contains no line breaks -- maybe just one needed after the data_ keyword. It's still in testing; please let me know if you start having CIF reader errors. One of the things you may see is:
SmarterJmolAdapter:CIF ERROR ? should be an underscore: Pc This shows up because the CIF reader is actually checking syntax as it goes now -- it is reading every data item and either using it or passing it by. In this case, we have: data_maleic.1 Pc #2 x,-y,1/2+z # Energy -93.59 kJ/mol _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P c' _symmetry_Int_Tables_number 7 loop_ These messages should not prevent the file from loading, but they are flagging possible CIF errors. In this case, maybe there's a rule I don't know, but the data_ keyword I don't believe takes any parameter. Unless there's something about it being on a line by itself with anything else on that line. Anyone know about this? Bob ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
