On Thu, 19 Feb 2004 19:38:55 +0100 (CET), Miguel Howard wrote > Jan wrote: > > I missed the command documentation. > > How do I get from the asymmetric unit in the PDB file to the > > unit-cell-s? > > Jan ... or someone ... what does the term 'asymmetric unit' refer to? > > I think I have a suspicion, but I don't understand why it is > 'asymmetric' ...
The atoms in the asymmetric unit are those atoms that cannot be generated by the allowed symmetry operators for the space group from any other atoms. That is, these are the unique atoms (or, for those atoms sitting on a symmetry operator, partial atoms) of the "crystal", all others are copies of these. Rich ------------------------------------------------------- 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
