[MMTK] modeling arbitrary structures

Ben Cornett acornet@emory.edu
Tue, 7 Aug 2001 16:15:53 -0400


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