[phenixbb] cis peptide question
Edward A. Berry
BerryE at upstate.edu
Tue Jul 16 07:27:44 PDT 2013
Pavel Afonine wrote:
> Oh, makes it hard to resist to re-post this old link to slides #17-18 here:
> The reason you could get away with this ok is because weights
> data/restraints used in phenix.refine are global.
OK, makes sense. And the sigma was high and weight low for that angle, allowing the clear xray data to overrule the
restraint and give the right structure?
dihedral pdb=" C10 FAD A1001 "
pdb=" N10 FAD A1001 "
pdb=" C1' FAD A1001 "
pdb=" C2' FAD A1001 "
ideal model delta sinusoidal sigma weight residual
90.09 -79.50 169.58 1 2.00e+01 2.50e-03 4.76e+01
(The FAD.cif is from ccp4)
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