> I extracted the GTT-Lines from pdb1gsa.ent with grep an tried
i found it helpful to get ligands from
http://www.ebi.ac.uk/msd-srv/chempdb/cgi-bin/cgi.pl?
to make sure they have all hydrogens etc. in .clm format they give even the
total charge in case you're not sure
tim
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Received on Thu Jan 12 2006 - 06:10:07 PST
