User a561097baa
		29-06-2011 00:13:57
	 
	
	
	Do you have any suggestions how to sort molecules, so that simple substituents appear first and in an organized way in an R-group decomposition, i.e., R= H, CH3, OH, followed by molecules with more complex substituents?
Example:
R1    R2    R3
H      H       OH
H      OH    H
OH    H       H
H       OH    OH
....
	
	 
 
	
		ChemAxon fb166edcbd
		05-07-2011 13:42:33
	 
	
	
	Actually we have an option which sets the opposite ordering: heavy groups come first, then H atom matches, finally empty matches. Use --hitOrdering:g to set this behavior:
rgdecomp --hitOrdering:g -q query.mrv targets.smiles
Refer to the RGroupDecompostion user guide for more details.