[Fsatom] CML and macromolecules

[David]

Hi fsatoms,

I'm ready for the first discussion! How about residue information in
CML? I ran babel on a pdb file and got only abbreviated atom names and
coordinates. 

On the positive side, babel finds the chemical bonds and outputs them in
the CML file. Are these 100 % reliable for correct structures?
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel@xray.bmc.uu.se	spoel@gromacs.org   http://xray.bmc.uu.se/~spoel
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