[Chimera-users] Fwd: patching ACE NME
chiendarret at gmail.com
Fri May 2 10:06:12 PDT 2014
Sorry, I had overlooked the option of changing residue name. So, what only
remains is whether there is a tool for quicker capping.
---------- Forwarded message ----------
From: Francesco Pietra <chiendarret at gmail.com>
Date: Fri, May 2, 2014 at 6:51 PM
Subject: patching ACE NME
To: chimera <chimera-users at cgl.ucsf.edu>
In parameterizing a new metal cluster, I would like to patch the various
amino acids (which stand isolated from one another) with what are called by
AMBER ACE and NME. I would like to do that within the whole block, not for
each amino acid isolated from the block. Also, I would like to avoid tleap,
which gets into troubles here.
I could do that by modifying structure, but a problem arises of residue
names, i.e, the original residue takes the name ACE or NME, or viceversa
the capping groups take the name of the amino acid being capped.
Is there a specific tool with chimera?
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