Item _struct_mon_details.RSCC

Description

              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 inclusion of map grid points
               in the calculation.

Category

Item Examples

Example 1:

                                 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.

Example 2:

                                 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.

Mandatory Code

Data Type Code