Index

Topology dictionary (topoCIF) version 0.9.6

Category TOPOL_LINK

Parent category:
TOPOLOGY

Definition:

   
    The TOPOL_LINK category describes the crystal structure
    connectivity and encodes the weighted colored
    symmetry-labeled quotient graph, from which the whole
    periodic net describing the overall topology of the crystal
    structure can be restored. The definition of
    symmetry-labeled quotient graph was given by Klein (1996)
    and examples of weights and colors for the graph edges and
    vertices are provided by Blatov (2006). The
    connections described in TOPOL_LINK may correspond to any
    vectors in the structure, not just bonds or contacts. The two end-point
    references are to nodes listed in TOPOL_NODE using
    _topol_link.node_id_1 and _topol_link.node_id_2.
    In the case of multiple nets, _topol_link.net_id is required. Other
    items in this category are optional. If the link itself represents
    atoms (as in the case of a molecular linker), the atoms comprising the
    link must be referenced by _topol_atom.link_id.

    References: Klein, H.-J. (1996). Systematic generation of models
    for crystal structures. Math. Model. Sci. Comput. 6, 325-330;
    Blatov, V. A. (2006). A method for hierarchical comparative
    analysis of crystal structures. Acta Cryst. A62, 356-364,
    DOI:10.1107/S0108767306025591.

Category is of type Loop