Date: Wed, 24 Jul 2002 13:00:44 -0700
From: "David A. Case"
Subject: Re: SS bond

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