On Friday, December 13, 2002, at 01:41 AM, Konrad Hinsen wrote:
As a suggestion, let's consider the chemistry implementation of XML
-- CML. Whatever the details of the object "molecule", it would be
beneficial to input and output to/from CML. A specification of
I don't agree. I looked at CML a while ago, thought about implementing
it in MMTK, but quickly found out that almost none of the information
I needed to store about molecules could be represented in CML, except
by adding "conventions" of my own - but then I could just as well
define my own XML format. CML is based on the right intentions, but is
too weak as an implementation.
BTW, common file formats are another goal of the FSAtom organization.
Konrad,
Thanks for the reminder about FSAtom. Maybe we should start a
discussion somewhere about what needs to be included in either a common
file format or a common interface.
R.
Rick Muller
r...@wag.caltech.edu
http://wag.caltech.edu/home/rpm
