The Query Definition/Attributes menu provides options for specifying node and bond attributes. Most options are available only on the QueryDef menu because most options apply to reactions and not isolated structures.
To make an option active, it is necessary to select a node or bond with the Selection tool before opening the menu and selecting the option.
Change Mode
Changes the menu from Query Def to Attributes and from Attributes to QueryDef.
Query mode gives you access to most of the attributes that you can change, since most of the attributes relate to reactions, and not isolated structures.
Ring Isolation...
Specify how ring systems are handled.
Select Isolated to retrieve any reactions in which the selected ring is not fused to other rings. Select Isolated/Embedded to retrieve reactions in which the ring can be fused to other ring systems.
Bond Characteristics...
Display or change the type and value of a bond. In the Bond Characteristics dialog box, click the bond type (for example, chain) or bond value (for example, exact) to see other choices.
Bond types are ring, chain, and ring/chain. Chain bonds can be set to chain, ring, or ring/chain. Ring bonds are automatically set to ring. Ring/chain means the bond can match either ring or chain bonds.
Bond values can be:
Exact - The query structure will match only structures with the bond as drawn.
Normalized - The query structure will match only structures with a normalized (aromatic, tautomeric, onium) bond. Normalized bonds are automatically detected and set and cannot be changed
Exact/Normalized - The query structure will match a structure with either an exact or a normalized bond. Bonds that are not normalized but that could be part of an aromatic or tautomeric system are automatically set to Exact/Normalized.
Unspecified - The query structure will match structures with any bond type.
Node Characteristics...
Display or change the type of the node (atom).
Nodes types are chain, ring, and ring/chain. Chain nodes can be set to chain, ring, or ring/chain. Ring nodes are automatically set to ring. Ring/chain means the node matches either ring or chain nodes.
Hydrogen Attachments...
Specify an exact or minimum number of H attachments on a node.
The default is Any. To override the default, click Specific. Then enter a value from 0 to 99.
If you select multiple nodes that have different hydrogen attachments, you will see Mixture in the dialog box. You can then reset the attachments for the selected nodes.
Non-H Attachments...
Specify the number and type of attachments other than hydrogen.
The default is Any. To override the default, click Specific. Then enter an Exact, Minimum, or Maximum value, and then select, Chain, Ring, or Ring/Chain.
Other Attributes...
Change a node's charge, valency, and isotope attributes. The default for these attributes is any.
This option is active only if just one node is selected.
Delocalized Charge...
Assign a delocalized charge to a node.
The default is Any. Select a different charge from the list, and then click OK.
This option is not searchable.
Review the current reaction or structure query definition.
Check the attributes or features you want to verify, and then when the dialog box opens, click OK to move through the attributes you checked in the Query Verification box.
Structure Drawing Menus
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- Preferences Menu
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