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[ccp4bb]: cis-gly in CCP4i and O
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I'm trying to refine a structure with a cis-glycine in CCP4i, using a
model built in O. So far as I know, CCP4i is ok (the CISP keyword is
set,) but the cis-gly structure I get out of O is so deformed that it
ends up refining as a regular gly. I tried to modify the dictionary so
that I could use refi_zone to refine it as cis-gly in O before I send it
to CCP4i, but somehow the modifications don't take hold when I read in
the new dictionary. What's the best way to accomplish this?
-Ben