> I've found one bug in the CIF reader. I believe that if the second > character of the atom.type_symbol field is capitalized, it should be > uncapitalized before checking to see if it is an atom symbol. This is > a free field, of course -- it could hold anything the author desires > -- but in the case that it is two CAPITAL letters, as "ZN" is in > 1ton.cif, then it should be converted to "Zn" prior to assigning an > atom element number. > > CifReader lines 330-335 > > A variety of simple options -- Miguel, you choose.
Bob, it would be helpful if you could please make that fix to CifReader.java You can either make the second character lower case. (This is probably the prefered solution.) OR you can call Atom.isValidElementSymbolNoCaseSecondChar(char, char), then assign the element symbol to be "ZN" ... it will get converted to "Zn" when it gets read into the viewer. Thanks, Miguel ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid0944&bid$1720&dat1642 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users