Hi,
I finally realized that when passing an sdf string to Chem.MolFromMolBlock,
the Mol object will not retain the properties from the sdf. Knowing that, I
am wondering if there is a way to create a single Mol object from a SDF
string. Right now, the only way I know is by using SDMolSupplier:
my_mol = None
suppl = Chem.SDMolSupplier(filename, <options>)
for mol in suppl:
my_mol = mol
<do things with my_mol>
...
Are there other ways to do this without needing to create a SDMolSupplier?
Also, it seems that SDMolSupplier.next() does not work anymore? I am
getting the following:
AttributeError: 'SDMolSupplier' object has no attribute 'next'
Any help is much appreciated, thanks!
Best,
Chris Murphy
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