Hi Tim,
You have SplitMolByPDBChainId and *Residue
http://rdkit.org/docs/source/rdkit.Chem.rdmolops.html#rdkit.Chem.rdmolops.SplitMolByPDBChainId
They are moderately useful to be honest, but they work as advertised. I
would prefer more consistent way like mol.GetChains() or mol.GetResidues(),
but we have no such option unfortunately.
Best,
Maciek
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
czw., 23 lip 2020 o 16:41 Tim Dudgeon napisał(a):
> RDKit can read PDB files but is there any functionality to work with the
> resulting molecule at the chain and residue level?
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