Hi there,
some questions about File input:
1. I want to read in large multiconformer sdf file.
This could be done by checking the canonical isomeric smiles.
However I wonder if that could be (or already is) implemented in some
Supplier
as I suspect my Python Code to be slow.
2. How about Proteins / binding Pockets? As RDKit explicitly is designed
for
small Mols, I wonder if anyone has already loaded a Protein?
I found a post by Adrian Schreyer (*[Rdkit-discuss] Atom-level SMARTS
matching*)
mentioning SIFTs, This implies the perception of Pocket-residues.
Was that done / Can that be done by the RDKit?
Cheers Markus
