Protein Data Bank exchange dictionary (pdbx) version 1.0521
_struct_mon_details.RSCC
Name:'_struct_mon_details.RSCC'
Definition:
This data item describes the specifics of the calculations that generated the values given in _struct_mon_prot.RSCC_all, _struct_mon_prot.RSCC_main and _struct_mon_prot.RSCC_side. The coefficients used to calculate the p(o) and p(c) maps should be given as well as the criterion for the inclusion of map grid points in the calculation.Examples:
; The map p(o) was calculated with coefficients
2F(o) - F(c) and with phase alpha(c). F(o)
are the observed structure-factor amplitudes,
F(c) are the amplitudes calculated from the
current model and alpha(c) are the phases
calculated from the current model.
The map p(c) was calculated in program O using
a Gaussian distribution function around the
atoms in the current model.
Map grid points within 1.5 A of the
designated atoms were included in the
calculation.
;
|
; The map p(o) was calculated with coefficients
F(o) and with phase alpha(c). F(o) are the
observed structure-factor amplitudes, and
alpha(c) are the phases calculated from the
current model.
The map p(c) was calculated with coefficients
F(c) and with phases alpha(c). F(c) and
alpha(c) are the structure-factor amplitudes
and phases, respectively, calculated from the
current model.
Map grid points within a van der Waals radius
of the designated atoms were included in the
calculation.
;
|
Type: text
Mandatory item: no
Category: struct_mon_details


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