Index

Macromolecular dictionary (mmCIF) version 2.0.09

_struct_mon_prot.RSCC_main

Name:
'_struct_mon_prot.RSCC_main'

Definition:

   The real-space (linear) correlation coefficient RSCC, as
   described by Jones et al. (1991), evaluated over all atoms
   in the main chain of the monomer.

          sum|p~obs~ - <p~obs~>| * sum|p~calc~ - <p~calc~>|
   RSCC = -------------------------------------------------
                [ sum|p~obs~  - <p~obs~> |^2^
                * sum|p~calc~ - <p~calc~>|^2^ ]^1/2^

   p~obs~  = the density in an 'experimental' map
   p~calc~ = the density in a 'calculated' map

   sum is taken over the specified grid points

   Details of how these maps were calculated should be given
   in _struct_mon_details.RSCC. < > indicates an average and the
   sums are taken over all map grid  points near the relevant atoms.
   The radius for including grid points in the calculation should
   also be given in _struct_mon_details.RSCC.

   Ref: Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M.
        (1991). Acta Cryst. A47, 110-119.

Type: float

Mandatory item: no

Category: struct_mon_prot