[Chimera-users] Fwd: Combining fragments for RESP charges

Francesco Pietra chiendarret at gmail.com
Fri Oct 31 00:36:37 PDT 2008

Sorry I used the wrong address for the message below.

---------- Forwarded message ----------
From: Francesco Pietra <chiendarret at gmail.com>
Date: Fri, Oct 31, 2008 at 8:34 AM
Subject: Combining fragments for RESP charges
To: chimera-users-request at cgl.ucsf.edu

I was reading Ross Walker's tutorial A1, in the suite of tutorials for Amber.

When deriving RESP charges for an unusual molecule covalently bound to
a protein, the unusual molecule is first detached from the protein and
then further divided into fragments. RESP charges are derived for the
fragments, then the fragments are recombined using Sirius
visualization program. The recombined fragments are then attached to
the protein, again using Sirius.

Can these recombinations be carried out with Chimera?

francesco pietra

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