Aidan, I don't know if this helps, but when I type "show spacegroup" from the console for your mol2 file, it says "could not identify space group from name: 14 1". (The pdb file shows the correct spacegroup, P 21/c, and 14 does correspond to P 21/c)
I think this is a bug. Looking at the code it looks like Mol2Reader.readCrystalInfo must be reading "14 1" instead of just "14". Should be a simple fix. Bob? Dean Johnston ------------------------------------------------------------------------- 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-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
