[Rdkit-discuss] Using SDMolSupplier

[Marshall L. <mar...@em...>]

Greg-

When using the SDMolSupplier and a for-loop to batch process an SD  
file, is there any command that should be made to clear memory after  
each molecule is processed? I'm seeing a steady increase in the memory  
being used for my python-RDKit job that is on the same scale as my  
input and output SD files, which isn't limiting but I'd like to know.   
For example:

### START EXAMPLE ####

# load SDF into supplier
supplier = Chem.SDMolSupplier(infilename)

for i,mol in enumerate(supplier):

	# process molecule
	molname = mol.GetProp('_Name')
	molH = Chem.AddHs(mol)

	# IS THIS NECESSARY?
	mol = None
	molH = None

##### END EXAMPLE ####

-Marshall