I'd have to hunt through the code more carefully, but in formats like Gaussian,
we know that all atoms (including hydrogens) are explicit.
Unfortunately, that's not true from PDB — in the vast majority of cases,
hydrogens are omitted and implicit.
So, for example in src/formats/pdbformat.cpp (master):
> FOR_ATOMS_OF_MOL(matom, mol)
> OBAtomAssignTypicalImplicitHydrogens(&*matom);
Now maybe it's useful to have a PDB read option that says "I know I have
explicit hydrogens" ?
-Geoff
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