PDBx/mmCIF
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Data Category pdbx_nonpoly_atom_coordination

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General

Category name
pdbx_nonpoly_atom_coordination
Required in PDB entries
no
Category group membership
pdbx_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

              Data items in the PDBX_NONPOLY_ATOM_COORDINATION category provide
              coordination information on selected atoms

Category Examples

2

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Category Example1

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    loop_
    _pdbx_nonpoly_atom_coordination.geometry_id
    _pdbx_nonpoly_atom_coordination.label_asym_id 
    _pdbx_nonpoly_atom_coordination.comp_id
    _pdbx_nonpoly_atom_coordination.atom_id
    _pdbx_nonpoly_atom_coordination.alt_id
    _pdbx_nonpoly_atom_coordination.number
    _pdbx_nonpoly_atom_coordination.geometry
    _pdbx_nonpoly_atom_coordination.geometry_generic
    _pdbx_nonpoly_atom_coordination.provenance
    _pdbx_nonpoly_atom_coordination.assessment
    1 D VO4 V ? 5 'trigonal bipyramid (regular)' 'trigonal bipyramidal' FindGeo    Expected
    1 D VO4 V ? 5 trigonal-bipyramid             'trigonal bipyramidal' MetalCoord Expected

Category Example2

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    loop_
    _pdbx_nonpoly_atom_coordination.geometry_id
    _pdbx_nonpoly_atom_coordination.label_asym_id 
    _pdbx_nonpoly_atom_coordination.comp_id
    _pdbx_nonpoly_atom_coordination.atom_id
    _pdbx_nonpoly_atom_coordination.alt_id
    _pdbx_nonpoly_atom_coordination.number
    _pdbx_nonpoly_atom_coordination.geometry
    _pdbx_nonpoly_atom_coordination.geometry_generic
    _pdbx_nonpoly_atom_coordination.provenance
    _pdbx_nonpoly_atom_coordination.assessment            
    1 B SF4 FE1 ? 4 'tetrahedron (regular)' tetrahedral FindGeo    Expected
    1 B SF4 FE1 ? 4 tetrahedral             tetrahedral MetalCoord Expected
    2 B SF4 FE2 ? 4 'tetrahedron (regular)' tetrahedral FindGeo    Expected
    2 B SF4 FE2 ? 4 tetrahedral             tetrahedral MetalCoord Expected
    3 B SF4 FE3 ? 4 'tetrahedron (regular)' tetrahedral FindGeo    Expected
    3 B SF4 FE3 ? 4 tetrahedral             tetrahedral MetalCoord Expected
    4 B SF4 FE4 ? 4 'tetrahedron (regular)' tetrahedral FindGeo    Expected
    4 B SF4 FE4 ? 4 tetrahedral             tetrahedral MetalCoord Expected

Key Data Items

Category Data Items

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