Hi,
I am working on deriving bond, angle and force parameters for a FE4S4
cluster. The FE4S4 cluster is bonded to four Cysteine residues, and the
whole structure looks like:
http://upload.wikimedia.org/wikipedia/commons/d/d5/Fe4S4.png. In my protein
this structure (the 4 sulphur atoms and 4 Iron atoms) forms a single
residue.
When creating a side chain model in MTK++, in #Create non-standard residue
library: how can I make this residue a non-standard residue?
In case of the example in MTK++ document, the ZN atom is considered as
a residue and it has been made non-standard type (copyStdResidue metals/.ZN
NAME/ZN1). In my case the whole FE4S4 residue needs to be made non-standard,
how could it be done? Please help.
Thanks,
Naveen Samala
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Received on Thu May 12 2011 - 11:30:03 PDT
