AMBER: tleap: automatically identify and connect disulfide bonds?

From: Raik Grünberg <>
Date: Wed, 28 Jul 2004 19:27:31 +0200


is there a way to make tleap identify and connect disulfide bonds
automatically? The bondByDistance <container> command looks like it could be
used for that but I don't see how to specify a container that contains only
the SG atoms of a molecule. The manual doesn't seem to tell what a container
is and how it can be specified.

Thanks in advance for any advise!

Raik Grünberg
Bioinformatique Structurale, Institut Pasteur
Paris, France

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Received on Wed Jul 28 2004 - 18:53:00 PDT
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