Re: AMBER: build a cyclic peptide

From: Carlos Simmerling <carlos.ilion.bio.sunysb.edu>
Date: Tue, 23 Nov 2004 21:43:13 -0500

you might want to try the bond command. I don't think that Leap will be able
to bulld reasonable initial coordinates, though. if you don't have any
you can
minimize the linear one but look out for cis peptide bonds and chirality
flips.

===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling.stonybrook.edu
===================================================================




Eric Hu wrote:

>Hi, I wonder if there is a way to build a cyclic
>peptide in leap. "sequence" seems to give a linear one
>only. Thanks.
>
>Eric
>
>
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Received on Wed Nov 24 2004 - 02:53:00 PST
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