Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category ATOM_SITES_ALT

Name:
'atom_sites_alt'

Description:

   Data items in the ATOM_SITES_ALT category record details
   about the structural ensembles that should be generated from
   atom sites or groups of atom sites that are modelled in
   alternative conformations in this data block.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP.
 
    loop_
    _atom_sites_alt.id
    _atom_sites_alt.details
     .
    ; Atom sites with the alternative ID set to null are not
      modeled in alternative conformations
    ;
     1
    ; Atom sites with the alternative ID set to 1 have been
      modeled in alternative conformations with respect to atom
      sites marked with alternative ID 2. The conformations of
      amino-acid side chains and solvent atoms with alternative
      ID set to 1 correlate with the conformation of the
      inhibitor marked with alternative ID 1. They have been
      given an occupancy of 0.58 to match the occupancy assigned
      to the inhibitor.
    ;
     2
    ; Atom sites with the alternative ID set to 2 have been
      modeled in alternative conformations with respect to atom
      sites marked with alternative ID 1. The conformations of
      amino-acid side chains and solvent atoms with alternative
      ID set to 2 correlate with the conformation of the
      inhibitor marked with alternative ID 2. They have been
      given an occupancy of 0.42 to match the occupancy assigned
      to the inhibitor.
    ;
     3
    ; Atom sites with the alternative ID set to 3 have been
      modeled in alternative conformations with respect to
      atoms marked with alternative ID 4. The conformations of
      amino-acid side chains and solvent atoms with alternative
      ID set to 3 do not correlate with the conformation of the
      inhibitor. These atom sites have arbitrarily been given
      an occupancy of 0.50.
    ;
     4
    ; Atom sites with the alternative ID set to 4 have been
      modeled in alternative conformations with respect to
      atoms marked with alternative ID 3. The conformations of
      amino-acid side chains and solvent atoms with alternative
      ID set to 4 do not correlate with the conformation of the
      inhibitor. These atom sites have arbitrarily been given
      an occupancy of 0.50.
    ;



Category groups:
    inclusive_group
    atom_group
Category key:
    _atom_sites_alt.id

Mandatory category: no