AMBER Archive (2003)

Subject: AMBER: xleap-N/C terminus

From: John (john.dalmaris_at_imperial.ac.uk)
Date: Wed Dec 10 2003 - 06:34:13 CST

Hello Amber users,

Xleap designs peptides with the N-terminus on the left and the C-terminus on
the right. I want to reverse such a peptide so that I can have the
C-terminus on the left in order to get this residue as residue No 1 in my
pdb file. I have tried creating this peptide in ChemDraw but when I load it
on Xleap it keeps connecting the C=O of residue i with the N-H of residue
i+1. Is there anyway in Xleap to do it the other way round and connect NH of
residue i with the CO of residue i+1?

Many thanks in advance.

Best wishes,

John

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