I have a protein structure I would like to modify by introducing a ACE
group to a serine sidechain. Since this structure comes from a
previous simulation, there is a water molecule conveniently placed at
that specific position. I guess it would be useful if I could simply
substitute this water molecule by the (-(C=O)CH3) fragment. I have
read read the tutorial which describes how to create a custom residue,
but I would like to know if there is a simpler way of making this type
of addition to the structure like a structure editor or even by
addition via xleap. The whole "creating a ligand file, approaching
manually and bonding via xleap" sounds like too much for something
that is not really a ligand. Well, any suggestion is welcome here.
Thank you
Fabrício
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Received on Mon Sep 12 2011 - 15:30:02 PDT
