[phenixbb] DNA covalent bond angles deviate from PDB standard dictionary
Ralf W. Grosse-Kunstleve
rwgk at yahoo.com
Wed Jan 5 12:31:58 PST 2011
Hi Scott,
> angle pdb=" O4' DG D 6 "
> pdb=" C1' DG D 6 "
> pdb=" N9 DG D 6 "
> ideal model delta sigma weight residual
> 108.40 110.18 -1.78 3.00e+00 1.11e-01 3.52e-01
The "ideal" value originates from
$PHENIX/chem_data/mon_lib/g/GD.cif
which has not changed for many years.
I'm very surprised that the PDB is flagging these long-standing CCP4 monomer
library values. I suggest you explain to the PDB that the angles in question
are expected results.
Ralf
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