Graphical Chemical Design Structures Section
                
                
                
                    Applicability: Synapse (core versions 0315+)
                
                
                
                    A graphical design enables you to assemble molecular
                    structures atom by atom while Synapse estimates
                    physical properties and evaluates constraints. Thus,
                    to constuct new molecular structures, you must
                    specify the elements and bonds to be used in each
                    graphical chemical design.
                
                
                    The Design Structures Section contains two fields. The
                    Design Elements field enables you to specify the
                    elements to be used in the design. The Design Bond
                    Types field specifies the bondy types to be used in the
                    design.
                
                
                    
                
                
                
                    Tip: Specify a knowlege base first
                
                
                    Because the elements specified in the Design Elements
                    field will be used to construct molecular structures
                    whose properties will be estimated by group
                    contribution techniques, you must first specify
                    the source knowledge base for the design. (See
                    documentation on the
                    Knowledge Base Section for
                    details.)
                
                
                    Although you do not need to specify a source knowledge base
                    to enter Design Bond Types, we still recommend that one of
                    the first tasks after you create a new design is to
                    specify its source knowledge base.
                
                
                
                    Example: Create a new graphical chemical design
                
                
                    - 
                        Open the MKS Chemical Design Examples document.
                    
- 
                        Create a "working" copy of the MKS Chemical Design
                        Examples document for use in this example. See
                        here for
                        details on how to create copies of documents.
                    
- 
                        Using the tabs at the top of the document, change to the
                        Graphical Designs Chapter by clicking the left mouse
                        button on the Graphicals tab.
                    
- 
                        Create a new Graphical design by pressing the "+" button in the
                        menubar or executing the "Add New Page" command found on the
                        Edit menu. A new, blank page will be added to the current
                        document.
                        
                            
                         
- 
                        Click the left mouse button in the Identifier Pane, the large
                        white box at the top of the page. The application will activate
                        the pane's datum edit dialog.
                        
                            
                         
- 
                        Enter a name for the new design. Optionally enter a
                        reference and comment.
                    
- 
                        Finally, press the dialog's Save button. The application
                        will save the new design's identifier into the
                        current document and display the new name you just
                        entered.
                    
                    Example: Specifying design elements
                
                
                    - 
                        Open the MKS Core Knowledge Base document. We will not
                        be making any changes to the document so you do not
                        need to make a working copy.
                    
- 
                        Activate the working copy of the chemical design document
                        we created in the previous example.
                    
- 
                        Using the tabs at the top of the document, change to the
                        Graphicals Chapter by clicking the left mouse button on
                        Graphicals tab. Navigate to the graphical chemical
                        design we created in the previous example.
                    
- 
                        In the Design Structures Section click the left mouse
                        button on the Design Elements field's table control. The
                        application activates the Design Elements Dialog. (See
                        documentation on the
                        Design Elements Dialog for
                        details.)
                        
                            
                         
- 
                        Click the left mouse button on an empty table row and
                        press the dialog's Edit button. The application activates
                        the Select Design Elements dialog.
                        
                            
                         
- 
                        Select Chlorine from the Entities list and press the
                        dialog's OK button. Chlorine will be added to the
                        list of design elements.
                    
- 
                        Continue the element selection process by repeating the
                        previous procedure. When all desired elements have
                        been selected, press the dialog's Save button.
                        The design elments will be stored into the current
                        document.
                    
                    Example: Specifying design bond types
                
                
                    - 
                        Activate the working copy of the chemical design document
                        we created in the previous example.
                    
- 
                        Using the tabs at the top of the document, change to the
                        Graphicals Chapter by clicking the left mouse button on
                        Graphicals tab. Navigate to the graphical chemical
                        design we created in the previous example.
                    
- 
                        In the Design Structures Section click the left mouse
                        button on the Design Bond Types field's table
                        control. The application activates the Design Bonds
                        dialog. (See documentation on the
                        Design Bonds Dialog for
                        details.)
                        
                            
                         
- 
                        Click the left mouse button on an empty table row and
                        press the dialog's Edit button. The application
                        activates the Bond Types dialog. (See documentation on the
                        Bond Type Dialog for
                        details.)
                        
                            
                         
- 
                        Select a bond type from the Bond Type control and press
                        the dialog's OK button. The selected bond type will be
                        added to the list of design bond types.
                    
- 
                        Continue the bond type selection process by repeating the
                        previous procedure. When all desired bond types have
                        been selected, press the dialog's Save button.
                        The design bond types will be stored into the current
                        document.
                    
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