Quick question:
I have a buried histidine which has NOEs to HD1. I was trying to hack the
refine.py script to add the following (below). This seems to be the correct
top file but I can't find a param file with HISU (using just grep). Could
someone please point me toward it?
Thanks,
Geoff
# protontate HIS 53
protocol.initTopology("toph19.his")
#protocol.initParams("???????")
xplor.command(r"""
patch HISU
reference=nil=( resid 53 )
end
""")
--
Geoffrey A. Mueller, Ph.D.
Staff Scientist, NIEHS
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