AMBER Archive (2006)

Subject: Re: AMBER: GLUTATHIONE

From: Tim Meyer (tim_at_mmb.pcb.ub.es)
Date: Wed Jan 11 2006 - 13:13:11 CST

> 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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