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
