Structure Menu
This menu provides chemical functions relating to structures like molecule cleaning, aromatization, reaction-handling, naming and more.
| 
         Clean 2D > Clean in 2D  | 
                
               | 
                
         Calculates new 2D coordinates for the molecule.  | 
        
| 
         Clean 2D > Clean and Arrange in 2D  | 
                
               | 
                
         Cleans the structure(s) and places them in the center of the canvas.  | 
        
| 
         Clean 2D > Hydrogenize Chiral Center  | 
                
               | 
                
         Adds an explicit hydrogen atom to a chiral center having no terminal atoms when 2D cleaning is performed.  | 
        
| 
         Clean 2D > Clean Wedge Bonds  | 
                
         
  | 
                
         Arranges the wedge bonds of the molecule in 2D.  | 
        
| 
         Clean 3D  | 
                
         
  | 
                
         Calculates 3D coordinates for the molecule base on method set in the Preferences < 3D Options dialog.  | 
        
| 
         Directed Merge > Assign Atoms  | 
                
         
  | 
                
         Chooses the atoms of the fragments to be merged.  | 
        
| 
         Directed Merge > Merge  | 
                
         
  | 
                
         Merges the fragments at the atoms set.  | 
        
| 
         Add > Add Explicit Hydrogens  | 
                
               | 
                
         Adds explicit H atoms instead of the current implicit ones. Explicit hydrogens are displayed with atoms joining its neighbor while implicit hydrogens are displayed by atom symbols only.  | 
        
| 
         Add > Data  | 
                
               | 
                
         Attaches data like stoichiometry coefficient to the molecule.  | 
        
| 
         Add > Absolute Stereo (CHIRAL)  | 
                
               | 
                
         Sets chiral flag for the molecule.  | 
        
| 
         Add > Multi-Center  | 
                
         
  | 
                
         Adds a multi-center attachment point representing a group of atoms.  | 
        
| 
         Add > Position Variation Bond  | 
                
               | 
                
         Create a variable point of attachment to represent a connection point to a group of atoms.  | 
        
| 
         Add > No Structure  | 
                
         
  | 
                
         Places a No Structure label on the canvas.  | 
        
| 
         Remove > Explicit Hydrogens  | 
                
               | 
                
         Removes explicit H atoms and increases the number of implicit hydrogens.  | 
        
| 
         Remove > Data  | 
                
         
  | 
                
         Removes attached data from the molecule.  | 
        
| 
         Remove > Absolute Stereo (CHIRAL)  | 
                
               | 
                
         Removes the chiral flag of the molecule.  | 
        
| 
         Edit data  | 
                
         
  | 
                
         Changes a previously attached data like stoichiometry coefficient of the molecule.  | 
        
| 
         Edit properties  | 
                
         
  | 
                
         Bond properties can be edited from this menu.  | 
        
| 
         Aromatic Form > Convert to Aromatic Form  | 
                
               | 
                
         Transforms the molecule to aromatic representation using the transformation method set.  | 
        
| 
         Aromatic Form > Conversion Method > Basic  | 
                
         
  | 
                
         Basic aromatization method is described here.  | 
        
| 
         Aromatic Form > Conversion Method > General  | 
                
         
  | 
                
         General aromatization method is described here.  | 
        
| 
         Aromatic Form > Conversion Method > Loose  | 
                
         
  | 
                
         Loose aromatization method is described here.  | 
        
| 
         Aromatic Form > Convert to Kekulé Form  | 
                
               | 
                
         Transforms the molecule to non-aromatic representation.  | 
        
| 
         Group > Group  | 
                
               | 
                
         Creates a custom Substructure Group (S-group)  | 
        
| 
         Group > Frequency Variation  | 
                
               | 
                
         Creates a Repeating Unit with Repetition Ranges.  | 
        
| 
         Group > Merge Brackets  | 
                
         
  | 
                
         Creates a bracket that crosses two bonds.  | 
        
| 
         Group > Edit Group  | 
                
         
  | 
                
         Modifies the properties of the selected group  | 
        
| 
         Group > Contract Group  | 
                
         
  | 
                
         Contracts all groups to its abbreviations.  | 
        
| 
         Group > Expand Group  | 
                
         
  | 
                
         Displays the full structure instead of the abbreviations.  | 
        
| 
         Group > Ungroup  | 
                
         
  | 
                
         Removes all abbreviated group associations from the molecule.  | 
        
| 
         Reaction > Merge Reactants  | 
                
         
  | 
                
         Merges the selected fragments to a reactant, product, or agent.  | 
        
| 
         Reaction > Unmerge Reactants  | 
                
         
  | 
                
         Removes selected fragments from a previously merged reactant, product, or agent.  | 
        
| 
         Mapping > Map Atoms  | 
                
               | 
                
         Inserts map numbers of the selected atoms.  | 
        
| 
         Mapping > Manual Atom Map  | 
                
               | 
                
         Inserts map numbers manually  | 
        
| 
         Mapping > Reaction Mapping Method > Complete  | 
                
         
  | 
                
         All atoms in the reaction are mapped.  | 
        
| 
         Mapping > Reaction Mapping Method > Changing  | 
                
         
  | 
                
         Only those atoms are mapped that have changing bond. Either the bond order changes, or new bond is created, or bond is deleted. Orphan and widow atoms are included.  | 
        
| 
         Mapping > Reaction Mapping Method > Matching  | 
                
         
  | 
                
         Maps all matching atoms in the reaction (Daylight style mapping). A reaction atom is called matching if it is not an orphan/widow atom: it exists on both sides of the reaction.  | 
        
| 
         Mapping > Unmap Atoms  | 
                
               | 
                
         Removes map numbers of the selected atoms.  | 
        
| 
         Attribute > R-Logic  | 
                
         
  | 
                
         Allows setting additional R-group conditions such as occurrence, rest H and if-then expressions to R-groups in the R-logic dialog window.  | 
        
| 
         Place Analysis Box  | 
                
         
  | 
                
         Places the Analysis Box containing the preset calculations.  | 
        
| 
         Generate Name ...  | 
                
         
  | 
                
         Generates IUPAC or Traditional Name.  | 
        
| 
         Name to Structure  | 
                
         
  | 
                
         Opens the Source window in IUPAC Name format, and enables you to enter directly a IUPAC Name and convert it to structure.  | 
        
| 
         Markush Enumeration  | 
                
         
  | 
                
         Generates a whole or a subset of the library of a generic Markush structure.  | 
        
| 
         Check Structure  | 
                
               | 
                
         Checks and corrects chemical structures. See Structure Checker in MarvinSketch for more details.  | 
        
| 
         Auto Check  | 
                
         
  | 
                
         Toggles auto checking of structures while drawing.  |