Macromolecular dictionary (mmCIF) version 2.0.09

_struct_mon_details.RSR

Name:
'_struct_mon_details.RSR'

Definition:

   This data item describes the specifics of the calculations that
   generated the values given in _struct_mon_prot.RSR_all,
   _struct_mon_prot.RSR_main and _struct_mon_prot.RSR_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