On Wed, Jul 24, 2002, Masaki Tomimoto wrote:
>
> (2) I tried to add hydrogen atoms to a protein which has SS bonds with
> tleap. In that process, all cystein residues gets hydrogen atoms even if
> some of them make SS-bonds. Could anybody give me a way how tackle with a
> protein which has SS-bond?
Cysteines that are involved in SS bonds need to be labelled "CYX" in the
pdb file, so that LEaP will know that they are not "free" cysteines for which
a proton is needed.
..good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Jul 24 2002 - 13:00:44 PDT
