This category provides a table of upper and lower distance limits used as criteria in determining covalent bonds. The table is organized by atom type pairs. Example 1 - Abbreviated bond distance limit table <PDBx:pdbx_bond_distance_limitsCategory> <PDBx:pdbx_bond_distance_limits atom_type_1="N" atom_type_2="Ag"> <PDBx:lower_limit>1.85</PDBx:lower_limit> <PDBx:upper_limit>2.70</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="O" atom_type_2="Ag"> <PDBx:lower_limit>1.85</PDBx:lower_limit> <PDBx:upper_limit>2.70</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="S" atom_type_2="Ag"> <PDBx:lower_limit>2.00</PDBx:lower_limit> <PDBx:upper_limit>3.00</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="Al" atom_type_2="H"> <PDBx:lower_limit>1.35</PDBx:lower_limit> <PDBx:upper_limit>1.65</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="As" atom_type_2="H"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.60</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="N" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>2.80</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="O" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>2.80</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="S" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>3.00</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="B" atom_type_2="B"> <PDBx:lower_limit>1.45</PDBx:lower_limit> <PDBx:upper_limit>1.95</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="C" atom_type_2="B"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.85</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="F" atom_type_2="B"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.75</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> </PDBx:pdbx_bond_distance_limitsCategory> |
<xsd:complexType name="pdbx_bond_distance_limitsType"> <xsd:annotation> <xsd:documentation xml:lang="en">This category provides a table of upper and lower distance limits used as criteria in determining covalent bonds. The table is organized by atom type pairs. Example 1 - Abbreviated bond distance limit table <PDBx:pdbx_bond_distance_limitsCategory> <PDBx:pdbx_bond_distance_limits atom_type_1="N" atom_type_2="Ag"> <PDBx:lower_limit>1.85</PDBx:lower_limit> <PDBx:upper_limit>2.70</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="O" atom_type_2="Ag"> <PDBx:lower_limit>1.85</PDBx:lower_limit> <PDBx:upper_limit>2.70</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="S" atom_type_2="Ag"> <PDBx:lower_limit>2.00</PDBx:lower_limit> <PDBx:upper_limit>3.00</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="Al" atom_type_2="H"> <PDBx:lower_limit>1.35</PDBx:lower_limit> <PDBx:upper_limit>1.65</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="As" atom_type_2="H"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.60</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="N" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>2.80</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="O" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>2.80</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="S" atom_type_2="Au"> <PDBx:lower_limit>1.80</PDBx:lower_limit> <PDBx:upper_limit>3.00</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="B" atom_type_2="B"> <PDBx:lower_limit>1.45</PDBx:lower_limit> <PDBx:upper_limit>1.95</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="C" atom_type_2="B"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.85</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> <PDBx:pdbx_bond_distance_limits atom_type_1="F" atom_type_2="B"> <PDBx:lower_limit>1.20</PDBx:lower_limit> <PDBx:upper_limit>1.75</PDBx:upper_limit> </PDBx:pdbx_bond_distance_limits> </PDBx:pdbx_bond_distance_limitsCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_bond_distance_limits" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="lower_limit" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The lower bond distance limit.</xsd:documentation> </xsd:annotation> <xsd:complexType> <xsd:simpleContent> <xsd:extension base="xsd:decimal"> <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/> </xsd:extension> </xsd:simpleContent> </xsd:complexType> </xsd:element> <xsd:element name="upper_limit" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The upper bond distance limit.</xsd:documentation> </xsd:annotation> <xsd:complexType> <xsd:simpleContent> <xsd:extension base="xsd:decimal"> <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/> </xsd:extension> </xsd:simpleContent> </xsd:complexType> </xsd:element> </xsd:all> <xsd:attribute name="atom_type_1" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">The first atom type defining the bond C N P</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="atom_type_2" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">The first atom type defining the bond C N P</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |