> The PDB file-format is an *extremely* poor one for use in a more > expressive crystallographic environment. It works for proteins, but as > far as the more complicated crystallography questions? I'd not recommend > trying to force other information into that format.
Understood. > A far more flexible > format, that works just as well for proteins, is CIF (I assume you are > all aware that the PDB is able to supply CIF format files for all PDB > entries, and these have the property of being corrected as well -- what > a concept! <g>). Yes. In the best of all possible worlds, I personally would stay away from the file format questions and stick to functionality. But that is not going to happen. CDK has some support for CIF (and maybe mmCIF) already. I suppose I need to look into CIF and mmCIF. Miguel ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
