Konrad, Thanks very much for the instructions on how to construct Molecules outside the Database. On Tue, Aug 07, 2001 at 08:59:00PM +0200, Konrad Hinsen wrote: > > I wish we had some better data exchange format than PDB, preferrably > XML-based. Have you looked at the Chemical Markup Language? http://www.xml-cml.org/ Regards, Ben