Data Category publ_body

General

Category name
publ_body
Required in PDB entries
no
Category group membership
iucr_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description

               Data items in the PUBL_BODY category permit the labelling of
               different text sections within the body of a paper.
               Note that these should not be used in a paper which has
               a standard format with sections tagged by specific data names
               (such as in Acta Crystallographica Section C). Typically,
               each journal will supply a list of the specific items it
               requires in its Notes for Authors.

Category Examples

2

 
    loop_
    _publ_body.element
    _publ_body.label
    _publ_body.title
    _publ_body.format
    _publ_body.contents

         section   1         Introduction                    cif
    ; X-ray diffraction from a crystalline material provides
      information on the thermally and spatially averaged
      electron density in the crystal...
    ;
         section   2         Theory                          tex
    ; In the rigid-atom approximation, the dynamic electron
      density of an atom is described by the convolution
      product of the static atomic density and a probability
      density function,
      $\rho_{dyn}(\bf r) = \rho_{stat}(\bf r) * P(\bf r). \eqno(1)$
    ;
 
    loop_
    _publ_body.element
    _publ_body.label
    _publ_body.title
    _publ_body.contents

         section     3
    ; The two-channel method for retrieval of the deformation
      electron density
    ;
         .
         subsection  3.1  'The two-channel entropy S[\D\r(r)]'
    ; As the wide dynamic range involved in the total electron
      density...
    ;
         subsection  3.2
    'Uniform vs informative prior model densities'        .
         subsubsection  3.2.1  'Use of uniform models'
    ; Straightforward algebra leads to expressions analogous
      to...
    ;