How to make an existing structure more generic

  1. Generalize the structure in an open ChemDraw document.
    1. Replace instantiated groups in the drawing of the generic or singleton structure (prenyl, phenyl, etc.) with Rn or Xn groups that vary between your new compound and existing compounds.

    2. Press ⌃⌘–E to save the image of the modified structure in a PNG document with the .png extension.
    3. Save a copy of the PNG file in ../strucs.
    4. Save the modified ChemDraw document.

  2. Modify the data describing each compound already associated with the structure.
    1. Return to ../data.js and identify the line describing the generic structure that you just modified.
    2. After the line describing the generic structure comes an array of one or more five-membered arrays. Each five-membered array describes a compound associated with the generic structure. Modify the first member of each array, the list of names of instantiated R groups, by adding the names of instantiated groups that are now represented by a new generic Rn or Xn group in the generic structure.
      1. If the generic structure is a singleton, insert the name of the R group into the single empty string.
      2. The compounds associated with this generic structure may each list exactly one R or X group as a single string: 
        	[	'groupName',
        Change any such instances to: 
        		[	['groupName'
		],
      3. Add an instantiated R or X group to the appropriate position in the array of instantiated R and X groups. For example, change: 
        		[	'oldGroupName'
		],
        to: 
        		[	'oldGroupName',
			'newGroupNameR2'
		],
        or: 
        		[	'oldR1GroupName',
			'oldR2GroupName'
		],
        to: 
        		[	'oldR1GroupName',
			'newR2GroupName',
			'oldR2GroupNameNowR3'
		],
        Note the changes in the commas at the end of each group's name.

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